N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide

C26H52N6O3 — CID 11283359

About N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide

N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide (PubChem CID 11283359) has the molecular formula C26H52N6O3 and a molecular weight of 496.74 g/mol. Its IUPAC name is N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide.

Molecular Properties

• Compound Name: N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
• PubChem CID: 11283359
• Molecular Formula: C26H52N6O3
• Molecular Weight: 496.74 g/mol
• Exact Mass: 496.41
• IUPAC Name: N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O
• InChI: InChI=1S/C26H52N6O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-23(33)30-20-15-12-14-19-24(34)32-22(25(27)35)17-16-21-31-26(28)29/h22H,2-21H2,1H3,(H2,27,35)(H,30,33)(H,32,34)(H4,28,29,31)/t22-/m0/s1
• InChIKey: ZLODGQIOKBKHFF-QFIPXVFZSA-N
• XLogP: 3.39
• TPSA: 165.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.74
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide?

The IUPAC name of N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide (CID 11283359) is N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide.

What is the SMILES notation for N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide?

The canonical SMILES for N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O.

What is the InChIKey of N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide?

The InChIKey is ZLODGQIOKBKHFF-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H52N6O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-23(33)30-20-15-12-14-19-24(34)32-22(25(27)35)17-16-21-31-26(28)29/h22H,2-21H2,1H3,(H2,27,35)(H,30,33)(H,32,34)(H4,28,29,31)/t22-/m0/s1.

What are the key properties of N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide?

N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide has a molecular weight of 496.74 g/mol, XLogP of 3.39, 24 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide is sourced from PubChem (CID 11283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).