(1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C19H32N2O — CID 89213688

About (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 89213688) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• PubChem CID: 89213688
• Molecular Formula: C19H32N2O
• Molecular Weight: 304.48 g/mol
• Exact Mass: 304.25
• IUPAC Name: (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
• SMILES: C=C(/C=C\C=C/N)CCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
• InChI: InChI=1S/C19H32N2O/c1-14(2)17-9-8-16(4)13-18(17)19(22)21-12-10-15(3)7-5-6-11-20/h5-7,11,14,16-18H,3,8-10,12-13,20H2,1-2,4H3,(H,21,22)/b7-5-,11-6-/t16-,17+,18-/m1/s1
• InChIKey: ZMOONFANMBTFGR-GWBBTOPASA-N
• XLogP: 3.79
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.48
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The IUPAC name of (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 89213688) is (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

What is the SMILES notation for (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The canonical SMILES for (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is C=C(/C=C\C=C/N)CCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.

What is the InChIKey of (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

The InChIKey is ZMOONFANMBTFGR-GWBBTOPASA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)17-9-8-16(4)13-18(17)19(22)21-12-10-15(3)7-5-6-11-20/h5-7,11,14,16-18H,3,8-10,12-13,20H2,1-2,4H3,(H,21,22)/b7-5-,11-6-/t16-,17+,18-/m1/s1.

What are the key properties of (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?

(1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 304.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5R)-N-[(4Z,6Z)-7-amino-3-methylidenehepta-4,6-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 89213688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).