(1-butylnaphthalen-2-yl)methanamine;hydrochloride

C15H20ClN — CID 118513377

IUPAC(1-butylnaphthalen-2-yl)methanamine;hydrochloride
SMILESCCCCc1c(CN)ccc2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-2-3-7-15-13(11-16)10-9-12-6-4-5-8-14(12)15;/h4-6,8-10H,2-3,7,11,16H2,1H3;1H
InChIKeyNHOPWCCEZWMZCU-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.06
Rot. Bonds4

About (1-butylnaphthalen-2-yl)methanamine;hydrochloride

(1-butylnaphthalen-2-yl)methanamine;hydrochloride (PubChem CID 118513377) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is (1-butylnaphthalen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-butylnaphthalen-2-yl)methanamine;hydrochloride
PubChem CID118513377
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name(1-butylnaphthalen-2-yl)methanamine;hydrochloride
SMILESCCCCc1c(CN)ccc2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-2-3-7-15-13(11-16)10-9-12-6-4-5-8-14(12)15;/h4-6,8-10H,2-3,7,11,16H2,1H3;1H
InChIKeyNHOPWCCEZWMZCU-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dibutylnaphthalene;naphthalene
CID 157292740
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
1,2-didecylnaphthalene
CID 22410831
1,2-di(icosyl)naphthalene
CID 90782201
CID 66933436
CID 66933436
CID 162312155
CID 162312155
2-pentyl-1-propylnaphthalene
CID 173391876
2-hexyl-1-propylnaphthalene
CID 173300538
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
1-ethyl-2-pentylnaphthalene
CID 173391903
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
9,10-dibutylanthracene
CID 605822

Frequently Asked Questions

What is the IUPAC name of (1-butylnaphthalen-2-yl)methanamine;hydrochloride?
The IUPAC name of (1-butylnaphthalen-2-yl)methanamine;hydrochloride (CID 118513377) is (1-butylnaphthalen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-butylnaphthalen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1-butylnaphthalen-2-yl)methanamine;hydrochloride is CCCCc1c(CN)ccc2ccccc12.Cl.
What is the InChIKey of (1-butylnaphthalen-2-yl)methanamine;hydrochloride?
The InChIKey is NHOPWCCEZWMZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-2-3-7-15-13(11-16)10-9-12-6-4-5-8-14(12)15;/h4-6,8-10H,2-3,7,11,16H2,1H3;1H.
What are the key properties of (1-butylnaphthalen-2-yl)methanamine;hydrochloride?
(1-butylnaphthalen-2-yl)methanamine;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylnaphthalen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 118513377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).