4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine

C41H74N6O4 — CID 143315115

About 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine

4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine (PubChem CID 143315115) has the molecular formula C41H74N6O4 and a molecular weight of 715.08 g/mol. Its IUPAC name is 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine.

Molecular Properties

• Compound Name: 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine
• PubChem CID: 143315115
• Molecular Formula: C41H74N6O4
• Molecular Weight: 715.08 g/mol
• Exact Mass: 714.58
• IUPAC Name: 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine
• SMILES: C=C(C(C)=O)C(CC1CCC1)NC(=C)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC(CCC(=O)NC(C)C)C(C)(C)C)C(CC)CCCC)C2(C)C.CN
• InChI: InChI=1S/C40H69N5O4.CH5N/c1-13-15-19-29(14-2)35(44-38(49)43-32(39(8,9)10)20-21-33(47)41-24(3)4)37(48)45-23-30-34(40(30,11)12)36(45)26(6)42-31(25(5)27(7)46)22-28-17-16-18-28;1-2/h24,28-32,34-36,42H,5-6,13-23H2,1-4,7-12H3,(H,41,47)(H2,43,44,49);2H2,1H3/t29?,30-,31?,32?,34-,35?,36?;/m0./s1
• InChIKey: DIPXHMMTYZJXTG-KNJDZBLASA-N
• XLogP: 6.46
• TPSA: 145.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.08
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine?

The IUPAC name of 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine (CID 143315115) is 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine.

What is the SMILES notation for 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine?

The canonical SMILES for 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine is C=C(C(C)=O)C(CC1CCC1)NC(=C)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC(CCC(=O)NC(C)C)C(C)(C)C)C(CC)CCCC)C2(C)C.CN.

What is the InChIKey of 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine?

The InChIKey is DIPXHMMTYZJXTG-KNJDZBLASA-N. The full InChI is InChI=1S/C40H69N5O4.CH5N/c1-13-15-19-29(14-2)35(44-38(49)43-32(39(8,9)10)20-21-33(47)41-24(3)4)37(48)45-23-30-34(40(30,11)12)36(45)26(6)42-31(25(5)27(7)46)22-28-17-16-18-28;1-2/h24,28-32,34-36,42H,5-6,13-23H2,1-4,7-12H3,(H,41,47)(H2,43,44,49);2H2,1H3/t29?,30-,31?,32?,34-,35?,36?;/m0./s1.

What are the key properties of 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine?

4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine has a molecular weight of 715.08 g/mol, XLogP of 6.46, 19 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[(1R,5S)-2-[1-[(1-cyclobutyl-3-methylidene-4-oxopentan-2-yl)amino]ethenyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-ethyl-1-oxoheptan-2-yl]carbamoylamino]-5,5-dimethyl-N-propan-2-ylhexanamide;methanamine is sourced from PubChem (CID 143315115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).