1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C16H24N2O2 — CID 115281056

IUPAC1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cccc3c2OCO3)CCCC1
InChIInChI=1S/C16H24N2O2/c1-18(2)16(8-3-4-9-16)11-17-10-13-6-5-7-14-15(13)20-12-19-14/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeySDLLGWPVPCKFHD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds5

About 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 115281056) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID115281056
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cccc3c2OCO3)CCCC1
InChIInChI=1S/C16H24N2O2/c1-18(2)16(8-3-4-9-16)11-17-10-13-6-5-7-14-15(13)20-12-19-14/h5-7,17H,3-4,8-12H2,1-2H3
InChIKeySDLLGWPVPCKFHD-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 31559165
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
CID 83117063
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N-(1,3-benzodioxol-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 54957908
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 115281056) is 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2cccc3c2OCO3)CCCC1.
What is the InChIKey of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is SDLLGWPVPCKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)16(8-3-4-9-16)11-17-10-13-6-5-7-14-15(13)20-12-19-14/h5-7,17H,3-4,8-12H2,1-2H3.
What are the key properties of 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115281056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).