6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide

C16H35N5O — CID 58264360

IUPAC6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide
SMILESCCC(C)(CC)NCNC(=O)C(C)(CCCCN)/N=C(\C)N
InChIInChI=1S/C16H35N5O/c1-6-15(4,7-2)20-12-19-14(22)16(5,21-13(3)18)10-8-9-11-17/h20H,6-12,17H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyGTKNAMANKUJDOR-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.49
Rot. Bonds11

About 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide

6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide (PubChem CID 58264360) has the molecular formula C16H35N5O and a molecular weight of 313.49 g/mol. Its IUPAC name is 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide
PubChem CID58264360
Molecular FormulaC16H35N5O
Molecular Weight313.49 g/mol
Exact Mass313.28
IUPAC Name6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide
SMILESCCC(C)(CC)NCNC(=O)C(C)(CCCCN)/N=C(\C)N
InChIInChI=1S/C16H35N5O/c1-6-15(4,7-2)20-12-19-14(22)16(5,21-13(3)18)10-8-9-11-17/h20H,6-12,17H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyGTKNAMANKUJDOR-UHFFFAOYSA-N
XLogP1.49
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide?
The IUPAC name of 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide (CID 58264360) is 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide.
What is the SMILES notation for 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide?
The canonical SMILES for 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide is CCC(C)(CC)NCNC(=O)C(C)(CCCCN)/N=C(\C)N.
What is the InChIKey of 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide?
The InChIKey is GTKNAMANKUJDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5O/c1-6-15(4,7-2)20-12-19-14(22)16(5,21-13(3)18)10-8-9-11-17/h20H,6-12,17H2,1-5H3,(H2,18,21)(H,19,22).
What are the key properties of 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide?
6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide has a molecular weight of 313.49 g/mol, XLogP of 1.49, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-aminoethylideneamino)-2-methyl-N-[(3-methylpentan-3-ylamino)methyl]hexanamide is sourced from PubChem (CID 58264360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).