2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide

C15H30N2O — CID 104677371

IUPAC2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-10-17(11-4-2)14(18)12-15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3
InChIKeyPRCOCDZPAMSFSQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide

2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide (PubChem CID 104677371) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
PubChem CID104677371
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O/c1-3-10-17(11-4-2)14(18)12-15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3
InChIKeyPRCOCDZPAMSFSQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 104677901
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(2-methylpropyl)acetamide
CID 81178763
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338720
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide (CID 104677371) is 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide?
The InChIKey is PRCOCDZPAMSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-10-17(11-4-2)14(18)12-15(13-16)8-6-5-7-9-15/h3-13,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide has a molecular weight of 254.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide is sourced from PubChem (CID 104677371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).