3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide

C14H28N2O — CID 81076013

IUPAC3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
SMILESCCC(CN)CC(=O)NC1CCCCC1CC
InChIInChI=1S/C14H28N2O/c1-3-11(10-15)9-14(17)16-13-8-6-5-7-12(13)4-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyPNKVRWHSHUVDRX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds6

About 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide

3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide (PubChem CID 81076013) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
PubChem CID81076013
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide
SMILESCCC(CN)CC(=O)NC1CCCCC1CC
InChIInChI=1S/C14H28N2O/c1-3-11(10-15)9-14(17)16-13-8-6-5-7-12(13)4-2/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyPNKVRWHSHUVDRX-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)pentanoylamino]cyclopentane-1-carboxylic acid
CID 81079851
N-[2-(aminomethyl)cyclopentyl]-3-ethylheptanamide;hydrochloride
CID 119602350
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
3-(aminomethyl)-1-cyclohexylpentan-1-one
CID 116596160
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
N-(2-ethylcyclopentyl)acetamide
CID 130891213
3-(aminomethyl)pentanehydrazide
CID 81079841

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide (CID 81076013) is 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide is CCC(CN)CC(=O)NC1CCCCC1CC.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide?
The InChIKey is PNKVRWHSHUVDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-11(10-15)9-14(17)16-13-8-6-5-7-12(13)4-2/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide?
3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethylcyclohexyl)pentanamide is sourced from PubChem (CID 81076013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).