[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

C15H23N — CID 65408100

IUPAC[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC(C)CC1(CN)CCc2ccccc2C1
InChIInChI=1S/C15H23N/c1-12(2)9-15(11-16)8-7-13-5-3-4-6-14(13)10-15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyWHYAMESXBDHDFM-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.17
Rot. Bonds3

About [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine

[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (PubChem CID 65408100) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
PubChem CID65408100
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
SMILESCC(C)CC1(CN)CCc2ccccc2C1
InChIInChI=1S/C15H23N/c1-12(2)9-15(11-16)8-7-13-5-3-4-6-14(13)10-15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyWHYAMESXBDHDFM-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine (CID 65408100) is [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is CC(C)CC1(CN)CCc2ccccc2C1.
What is the InChIKey of [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
The InChIKey is WHYAMESXBDHDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)9-15(11-16)8-7-13-5-3-4-6-14(13)10-15/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine?
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine has a molecular weight of 217.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine is sourced from PubChem (CID 65408100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).