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

C16H25N — CID 63521983

IUPAC[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESCCC(C)CC1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25N/c1-3-13(2)11-16(12-17)10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13H,3,6,8,10-12,17H2,1-2H3
InChIKeyFMBWSZUUBIVHOZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds4

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

[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine (PubChem CID 63521983) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
PubChem CID63521983
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
SMILESCCC(C)CC1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25N/c1-3-13(2)11-16(12-17)10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13H,3,6,8,10-12,17H2,1-2H3
InChIKeyFMBWSZUUBIVHOZ-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
CID 63502125
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 102940470
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
CID 43265604
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 65408733
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The IUPAC name of [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine (CID 63521983) is [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine.
What is the SMILES notation for [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The canonical SMILES for [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine is CCC(C)CC1(CN)CCCc2ccccc21.
What is the InChIKey of [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
The InChIKey is FMBWSZUUBIVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13(2)11-16(12-17)10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13H,3,6,8,10-12,17H2,1-2H3.
What are the key properties of [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine?
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine is sourced from PubChem (CID 63521983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).