4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide

C14H29N3O — CID 55115402

IUPAC4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H29N3O/c1-10-9-12(5-6-13(10)15)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyGVEACYZPWIBLDE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide

4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 55115402) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID55115402
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1CCC(N)C(C)C1
InChIInChI=1S/C14H29N3O/c1-10-9-12(5-6-13(10)15)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyGVEACYZPWIBLDE-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62777735
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 62782597
4-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 103113502
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
4-amino-N-[2-(dimethylamino)propyl]-3-methylcyclohexane-1-carboxamide
CID 62782736
4-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63840862
4-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783259
4-amino-N-(1-cyclohexylethyl)-3-methylcyclohexane-1-carboxamide
CID 55116861
4-amino-N-(3-hydroxybutyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 113499950
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032824
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
4-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 55227956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide (CID 55115402) is 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide is CC(CCN(C)C)NC(=O)C1CCC(N)C(C)C1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is GVEACYZPWIBLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10-9-12(5-6-13(10)15)14(18)16-11(2)7-8-17(3)4/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide?
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 55115402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).