2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide

C17H34N2O — CID 63612231

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CC1CCC(CN)CC1)C(C)C
InChIInChI=1S/C17H34N2O/c1-4-5-6-11-19(14(2)3)17(20)12-15-7-9-16(13-18)10-8-15/h14-16H,4-13,18H2,1-3H3
InChIKeyGMZOBAMFDCSWNC-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.57
Rot. Bonds8

About 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide

2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide (PubChem CID 63612231) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
PubChem CID63612231
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide
SMILESCCCCCN(C(=O)CC1CCC(CN)CC1)C(C)C
InChIInChI=1S/C17H34N2O/c1-4-5-6-11-19(14(2)3)17(20)12-15-7-9-16(13-18)10-8-15/h14-16H,4-13,18H2,1-3H3
InChIKeyGMZOBAMFDCSWNC-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.57
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-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 63612057
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
N-(3-bromopropyl)-2-cyclobutyl-N-propan-2-ylacetamide
CID 103166636
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
2-(4-aminocyclohexyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82961246
N-butan-2-yl-N-butyl-2-piperidin-4-ylacetamide
CID 61028847
N-(3-chloropropyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83138254
3-oxo-N-pentyl-N-propan-2-ylbutanamide
CID 60952085
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
3-amino-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide (CID 63612231) is 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide is CCCCCN(C(=O)CC1CCC(CN)CC1)C(C)C.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide?
The InChIKey is GMZOBAMFDCSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-6-11-19(14(2)3)17(20)12-15-7-9-16(13-18)10-8-15/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide?
2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide has a molecular weight of 282.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-pentyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63612231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).