2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide

C15H28N2O — CID 104677614

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(13-6-7-13)17(2)14(18)10-15(11-16)8-4-3-5-9-15/h12-13H,3-11,16H2,1-2H3
InChIKeyBNJLQIGXPKEEND-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide (PubChem CID 104677614) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
PubChem CID104677614
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(13-6-7-13)17(2)14(18)10-15(11-16)8-4-3-5-9-15/h12-13H,3-11,16H2,1-2H3
InChIKeyBNJLQIGXPKEEND-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
2-[1-(aminomethyl)cyclohexyl]-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 104677793
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
2-[1-(aminomethyl)cyclobutyl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551782
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(oxan-4-yl)acetamide
CID 104677648
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide (CID 104677614) is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide is CC(C1CC1)N(C)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide?
The InChIKey is BNJLQIGXPKEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(13-6-7-13)17(2)14(18)10-15(11-16)8-4-3-5-9-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylethyl)-N-methylacetamide has a molecular weight of 252.40 g/mol, XLogP of 2.54, 5 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-(1-cyclopropylethyl)-N-methylacetamide is sourced from PubChem (CID 104677614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).