2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid

C15H28N2O2 — CID 103243177

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
SMILESCC1CCCC(CNC2CCC2C(=O)O)(N(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11-5-4-8-15(9-11,17(2)3)10-16-13-7-6-12(13)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyAGBDGYHAFMECRO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds5

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid

2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid (PubChem CID 103243177) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
PubChem CID103243177
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
SMILESCC1CCCC(CNC2CCC2C(=O)O)(N(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11-5-4-8-15(9-11,17(2)3)10-16-13-7-6-12(13)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyAGBDGYHAFMECRO-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
CID 61212680
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid (CID 103243177) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid is CC1CCCC(CNC2CCC2C(=O)O)(N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is AGBDGYHAFMECRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-5-4-8-15(9-11,17(2)3)10-16-13-7-6-12(13)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103243177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).