1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine

C17H35N3 — CID 105413969

IUPAC1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-14-9-15(2)11-17(10-14,12-18)20(5)13-16(19(3)4)7-6-8-16/h14-15H,6-13,18H2,1-5H3
InChIKeyUMHUBXWWIYSONK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 105413969) 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,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID105413969
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-14-9-15(2)11-17(10-14,12-18)20(5)13-16(19(3)4)7-6-8-16/h14-15H,6-13,18H2,1-5H3
InChIKeyUMHUBXWWIYSONK-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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine (CID 105413969) is 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine is CC1CC(C)CC(CN)(N(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is UMHUBXWWIYSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14-9-15(2)11-17(10-14,12-18)20(5)13-16(19(3)4)7-6-8-16/h14-15H,6-13,18H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-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,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105413969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).