2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide

C15H30N2O — CID 62781706

IUPAC2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-12(2)17-15(18)11-13-7-9-14(16)10-8-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyIUAFJXPWZGNXHY-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide

2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide (PubChem CID 62781706) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide
PubChem CID62781706
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H30N2O/c1-3-4-5-6-12(2)17-15(18)11-13-7-9-14(16)10-8-13/h12-14H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyIUAFJXPWZGNXHY-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.98
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

N-octan-2-yl-2-piperidin-4-ylacetamide
CID 54910396
2-(4-aminocyclohexyl)-N-(4-methoxybutan-2-yl)acetamide
CID 64603111
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066
N-dodecan-2-ylpropanamide
CID 174988669
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
3-amino-N-heptan-2-ylbutanamide
CID 60836862
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide (CID 62781706) is 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide?
The InChIKey is IUAFJXPWZGNXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-5-6-12(2)17-15(18)11-13-7-9-14(16)10-8-13/h12-14H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide?
2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide has a molecular weight of 254.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-heptan-2-ylacetamide is sourced from PubChem (CID 62781706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).