2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine

C18H37N3 — CID 105417254

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H37N3/c1-5-13-19-17-10-7-6-9-16(17)14-21(4)15-18(20(2)3)11-8-12-18/h16-17,19H,5-15H2,1-4H3
InChIKeyWXVZMGUOPGULAQ-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.96
Rot. Bonds8

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 105417254) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
PubChem CID105417254
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H37N3/c1-5-13-19-17-10-7-6-9-16(17)14-21(4)15-18(20(2)3)11-8-12-18/h16-17,19H,5-15H2,1-4H3
InChIKeyWXVZMGUOPGULAQ-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 62616342
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
N,1-dimethyl-N-[[2-(propylamino)cyclopentyl]methyl]piperidin-3-amine
CID 55094812
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine (CID 105417254) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is WXVZMGUOPGULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-13-19-17-10-7-6-9-16(17)14-21(4)15-18(20(2)3)11-8-12-18/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 105417254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).