[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine

C15H24N2 — CID 115039154

IUPAC[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
SMILESCN(C)CC1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H24N2/c1-17(2)12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyXVJXLNMCRKKJPN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.52
Rot. Bonds4

About [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine

[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine (PubChem CID 115039154) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
PubChem CID115039154
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
SMILESCN(C)CC1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C15H24N2/c1-17(2)12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyXVJXLNMCRKKJPN-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine?
The IUPAC name of [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine (CID 115039154) is [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine.
What is the SMILES notation for [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine?
The canonical SMILES for [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine is CN(C)CC1(c2cccc(CN)c2)CCCC1.
What is the InChIKey of [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine?
The InChIKey is XVJXLNMCRKKJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(2)12-15(8-3-4-9-15)14-7-5-6-13(10-14)11-16/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3.
What are the key properties of [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine?
[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine is sourced from PubChem (CID 115039154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).