3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine

C18H24N2 — CID 61213687

IUPAC3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
SMILESCC1CCCC(C)N1Cc1cc2ccccc2cc1N
InChIInChI=1S/C18H24N2/c1-13-6-5-7-14(2)20(13)12-17-10-15-8-3-4-9-16(15)11-18(17)19/h3-4,8-11,13-14H,5-7,12,19H2,1-2H3
InChIKeyNUOLANBFBGHDQV-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.18
Rot. Bonds2

About 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine

3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine (PubChem CID 61213687) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
PubChem CID61213687
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
SMILESCC1CCCC(C)N1Cc1cc2ccccc2cc1N
InChIInChI=1S/C18H24N2/c1-13-6-5-7-14(2)20(13)12-17-10-15-8-3-4-9-16(15)11-18(17)19/h3-4,8-11,13-14H,5-7,12,19H2,1-2H3
InChIKeyNUOLANBFBGHDQV-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
4-bromo-3-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 113281280
3-bromo-4-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 54918462
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
CID 82167848
2-[(2,6-dimethylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350725
2-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
CID 104739730
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
CID 28599320
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
CID 114547274
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
[4-[(2,6-dimethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478552

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine (CID 61213687) is 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine is CC1CCCC(C)N1Cc1cc2ccccc2cc1N.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine?
The InChIKey is NUOLANBFBGHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-6-5-7-14(2)20(13)12-17-10-15-8-3-4-9-16(15)11-18(17)19/h3-4,8-11,13-14H,5-7,12,19H2,1-2H3.
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine?
3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine has a molecular weight of 268.40 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 61213687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).