(2-pentylnaphthalen-1-yl)methanamine

C16H21N — CID 57296972

IUPAC(2-pentylnaphthalen-1-yl)methanamine
SMILESCCCCCc1ccc2ccccc2c1CN
InChIInChI=1S/C16H21N/c1-2-3-4-7-14-11-10-13-8-5-6-9-15(13)16(14)12-17/h5-6,8-11H,2-4,7,12,17H2,1H3
InChIKeyQHVQJSAQOKYWOT-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.03
Rot. Bonds5

About (2-pentylnaphthalen-1-yl)methanamine

(2-pentylnaphthalen-1-yl)methanamine (PubChem CID 57296972) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (2-pentylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2-pentylnaphthalen-1-yl)methanamine
PubChem CID57296972
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(2-pentylnaphthalen-1-yl)methanamine
SMILESCCCCCc1ccc2ccccc2c1CN
InChIInChI=1S/C16H21N/c1-2-3-4-7-14-11-10-13-8-5-6-9-15(13)16(14)12-17/h5-6,8-11H,2-4,7,12,17H2,1H3
InChIKeyQHVQJSAQOKYWOT-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.03
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-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
1-ethyl-2-pentylnaphthalene
CID 173391903
1,2-di(icosyl)naphthalene
CID 90782201
2-hexyl-1-propylnaphthalene
CID 173300538
CID 66933436
CID 66933436
CID 162312155
CID 162312155
1,2-dibutylnaphthalene;naphthalene
CID 157292740
(1-butylnaphthalen-2-yl)methanamine;hydrochloride
CID 118513377
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
2-hexadecylnaphthalen-1-amine
CID 57354886
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444

Frequently Asked Questions

What is the IUPAC name of (2-pentylnaphthalen-1-yl)methanamine?
The IUPAC name of (2-pentylnaphthalen-1-yl)methanamine (CID 57296972) is (2-pentylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (2-pentylnaphthalen-1-yl)methanamine?
The canonical SMILES for (2-pentylnaphthalen-1-yl)methanamine is CCCCCc1ccc2ccccc2c1CN.
What is the InChIKey of (2-pentylnaphthalen-1-yl)methanamine?
The InChIKey is QHVQJSAQOKYWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-3-4-7-14-11-10-13-8-5-6-9-15(13)16(14)12-17/h5-6,8-11H,2-4,7,12,17H2,1H3.
What are the key properties of (2-pentylnaphthalen-1-yl)methanamine?
(2-pentylnaphthalen-1-yl)methanamine has a molecular weight of 227.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 57296972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).