1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide

C15H29N3O2 — CID 119665002

IUPAC1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1(NC(C)=O)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-3-4-8-13(11-16)17-14(20)15(18-12(2)19)9-6-5-7-10-15/h13H,3-11,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOTWWHYVWJZTPMP-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.46
Rot. Bonds7

About 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide

1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide (PubChem CID 119665002) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide
PubChem CID119665002
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC(CN)NC(=O)C1(NC(C)=O)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-3-4-8-13(11-16)17-14(20)15(18-12(2)19)9-6-5-7-10-15/h13H,3-11,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyOTWWHYVWJZTPMP-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide (CID 119665002) is 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide is CCCCC(CN)NC(=O)C1(NC(C)=O)CCCCC1.
What is the InChIKey of 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is OTWWHYVWJZTPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-4-8-13(11-16)17-14(20)15(18-12(2)19)9-6-5-7-10-15/h13H,3-11,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide?
1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119665002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).