2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide

C16H32N2O — CID 106592721

IUPAC2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H32N2O/c1-4-5-6-8-12(2)18-16(19)13(3)14-9-7-10-15(17)11-14/h12-15H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyDVBZOWXVRPMILY-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.22
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide

2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide (PubChem CID 106592721) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
PubChem CID106592721
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C16H32N2O/c1-4-5-6-8-12(2)18-16(19)13(3)14-9-7-10-15(17)11-14/h12-15H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyDVBZOWXVRPMILY-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-dodecylcyclohexanecarboxamide
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3-Dodecylpiperidin-2-one
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3-cyclohexyl-N-propan-2-ylpropanamide
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(2S)-2-amino-N-[(2S)-1-(butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-methylbutanamide
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n-Isopropylcyclohexanecarboxamide
CID 232390
N-tetradecylcyclohexanecarboxamide
CID 53394586
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide
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CID 167733793

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide (CID 106592721) is 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide?
The InChIKey is DVBZOWXVRPMILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-6-8-12(2)18-16(19)13(3)14-9-7-10-15(17)11-14/h12-15H,4-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide?
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide is sourced from PubChem (CID 106592721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).