1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine

C17H35N3 — CID 105414063

IUPAC1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CC2(N(C)C)CCC2)C(C)C1
InChIInChI=1S/C17H35N3/c1-14-7-10-17(12-18,15(2)11-14)20(5)13-16(19(3)4)8-6-9-16/h14-15H,6-13,18H2,1-5H3
InChIKeyHNKIUVRRYMQGFP-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine (PubChem CID 105414063) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine
PubChem CID105414063
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CC2(N(C)C)CCC2)C(C)C1
InChIInChI=1S/C17H35N3/c1-14-7-10-17(12-18,15(2)11-14)20(5)13-16(19(3)4)8-6-9-16/h14-15H,6-13,18H2,1-5H3
InChIKeyHNKIUVRRYMQGFP-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-propan-2-ylcyclohexan-1-amine
CID 105414055
1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 64761545
1-(aminomethyl)-N-cyclohexyl-N-ethyl-2,4-dimethylcyclohexan-1-amine
CID 64760341
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N,4-dimethylaniline
CID 64763127
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
CID 65085240
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64762337
1-(aminomethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 9161377
1-(aminomethyl)-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 64761340
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 64762944
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
CID 64762938

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine (CID 105414063) is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)CC2(N(C)C)CCC2)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine?
The InChIKey is HNKIUVRRYMQGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14-7-10-17(12-18,15(2)11-14)20(5)13-16(19(3)4)8-6-9-16/h14-15H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2,4-trimethylcyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 5 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,2,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105414063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).