2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide

C16H33N3O — CID 104677954

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)C(CNC(=O)CC1(CN)CCCCC1)N(C)C
InChIInChI=1S/C16H33N3O/c1-13(2)14(19(3)4)11-18-15(20)10-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyCOLPOWYHYVHCKD-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide (PubChem CID 104677954) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
PubChem CID104677954
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
SMILESCC(C)C(CNC(=O)CC1(CN)CCCCC1)N(C)C
InChIInChI=1S/C16H33N3O/c1-13(2)14(19(3)4)11-18-15(20)10-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyCOLPOWYHYVHCKD-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
CID 81169665
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide (CID 104677954) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide is CC(C)C(CNC(=O)CC1(CN)CCCCC1)N(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
The InChIKey is COLPOWYHYVHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)14(19(3)4)11-18-15(20)10-16(12-17)8-6-5-7-9-16/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide is sourced from PubChem (CID 104677954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).