1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine

C18H37N3 — CID 105414055

IUPAC1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1(CN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H37N3/c1-15(2)16-9-6-7-12-18(16,13-19)21(5)14-17(20(3)4)10-8-11-17/h15-16H,6-14,19H2,1-5H3
InChIKeyNRTDDCJJMCMNEE-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.95
Rot. Bonds6

About 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 105414055) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID105414055
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCCC1(CN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H37N3/c1-15(2)16-9-6-7-12-18(16,13-19)21(5)14-17(20(3)4)10-8-11-17/h15-16H,6-14,19H2,1-5H3
InChIKeyNRTDDCJJMCMNEE-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine
CID 105414063
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105413933
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
9-propan-2-ylspiro[3.5]nonane
CID 140652255
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine (CID 105414055) is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCCC1(CN)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is NRTDDCJJMCMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(2)16-9-6-7-12-18(16,13-19)21(5)14-17(20(3)4)10-8-11-17/h15-16H,6-14,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 105414055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).