3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine

C18H24N2 — CID 63657165

IUPAC3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC1CCCC1
InChIInChI=1S/C18H24N2/c1-20(12-14-6-2-3-7-14)13-17-10-15-8-4-5-9-16(15)11-18(17)19/h4-5,8-11,14H,2-3,6-7,12-13,19H2,1H3
InChIKeyVLKQNBMNIULWGN-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds4

About 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine

3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine (PubChem CID 63657165) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
PubChem CID63657165
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
SMILESCN(Cc1cc2ccccc2cc1N)CC1CCCC1
InChIInChI=1S/C18H24N2/c1-20(12-14-6-2-3-7-14)13-17-10-15-8-4-5-9-16(15)11-18(17)19/h4-5,8-11,14H,2-3,6-7,12-13,19H2,1H3
InChIKeyVLKQNBMNIULWGN-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine (CID 63657165) is 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine is CN(Cc1cc2ccccc2cc1N)CC1CCCC1.
What is the InChIKey of 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine?
The InChIKey is VLKQNBMNIULWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-20(12-14-6-2-3-7-14)13-17-10-15-8-4-5-9-16(15)11-18(17)19/h4-5,8-11,14H,2-3,6-7,12-13,19H2,1H3.
What are the key properties of 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine?
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine has a molecular weight of 268.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine is sourced from PubChem (CID 63657165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).