2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide

C16H32N2O — CID 64686254

IUPAC2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CC1(N)CCCCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-4-5-9-12-18(14(2)3)15(19)13-16(17)10-7-6-8-11-16/h14H,4-13,17H2,1-3H3
InChIKeyLWJBLGFBAQEKEP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.47
Rot. Bonds7

About 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide

2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide (PubChem CID 64686254) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
PubChem CID64686254
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CC1(N)CCCCC1)C(C)C
InChIInChI=1S/C16H32N2O/c1-4-5-9-12-18(14(2)3)15(19)13-16(17)10-7-6-8-11-16/h14H,4-13,17H2,1-3H3
InChIKeyLWJBLGFBAQEKEP-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclobutyl)-N-propan-2-yl-N-propylacetamide
CID 79851810
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
2-(1-aminocyclobutyl)-N-heptyl-N-(3-hydroxypropyl)acetamide
CID 79853666
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide (CID 64686254) is 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide is CCCCCN(C(=O)CC1(N)CCCCC1)C(C)C.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide?
The InChIKey is LWJBLGFBAQEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-9-12-18(14(2)3)15(19)13-16(17)10-7-6-8-11-16/h14H,4-13,17H2,1-3H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide?
2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide has a molecular weight of 268.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-pentyl-N-propan-2-ylacetamide is sourced from PubChem (CID 64686254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).