(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

C20H33N — CID 65408872

IUPAC(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCCCCCCCCCC1(CN)CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-10-14-20(17-21)15-13-18-11-8-9-12-19(18)16-20/h8-9,11-12H,2-7,10,13-17,21H2,1H3
InChIKeyAIDOZRYYWSJZHK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.26
Rot. Bonds9

About (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine

(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (PubChem CID 65408872) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
PubChem CID65408872
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
SMILESCCCCCCCCCC1(CN)CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-10-14-20(17-21)15-13-18-11-8-9-12-19(18)16-20/h8-9,11-12H,2-7,10,13-17,21H2,1H3
InChIKeyAIDOZRYYWSJZHK-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-decyl-1,3-dihydroinden-2-yl)methanamine
CID 65406549
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65407527
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65408100
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 114349753
(1-pentylcyclopentyl)methanamine
CID 62725889
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63466831
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
CID 84793998

Frequently Asked Questions

What is the IUPAC name of (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The IUPAC name of (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine (CID 65408872) is (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine.
What is the SMILES notation for (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The canonical SMILES for (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is CCCCCCCCCC1(CN)CCc2ccccc2C1.
What is the InChIKey of (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
The InChIKey is AIDOZRYYWSJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-4-5-6-7-10-14-20(17-21)15-13-18-11-8-9-12-19(18)16-20/h8-9,11-12H,2-7,10,13-17,21H2,1H3.
What are the key properties of (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine?
(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine is sourced from PubChem (CID 65408872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).