N-(naphthalen-1-ylmethyl)octan-4-amine

C19H27N — CID 106023258

IUPACN-(naphthalen-1-ylmethyl)octan-4-amine
SMILESCCCCC(CCC)NCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-5-13-18(9-4-2)20-15-17-12-8-11-16-10-6-7-14-19(16)17/h6-8,10-12,14,18,20H,3-5,9,13,15H2,1-2H3
InChIKeyXSEHZXRQOXPVEB-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.29
Rot. Bonds8

About N-(naphthalen-1-ylmethyl)octan-4-amine

N-(naphthalen-1-ylmethyl)octan-4-amine (PubChem CID 106023258) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)octan-4-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)octan-4-amine
PubChem CID106023258
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-(naphthalen-1-ylmethyl)octan-4-amine
SMILESCCCCC(CCC)NCc1cccc2ccccc12
InChIInChI=1S/C19H27N/c1-3-5-13-18(9-4-2)20-15-17-12-8-11-16-10-6-7-14-19(16)17/h6-8,10-12,14,18,20H,3-5,9,13,15H2,1-2H3
InChIKeyXSEHZXRQOXPVEB-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
N-[(2-cyclopropylphenyl)methyl]octan-4-amine
CID 106023493
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
N-[(2-fluorophenyl)methyl]undecan-6-amine
CID 43763687
N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-[(6-methoxy-2-pyridinyl)methyl]octan-4-amine
CID 103781524
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)octan-4-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)octan-4-amine (CID 106023258) is N-(naphthalen-1-ylmethyl)octan-4-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)octan-4-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)octan-4-amine is CCCCC(CCC)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)octan-4-amine?
The InChIKey is XSEHZXRQOXPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-13-18(9-4-2)20-15-17-12-8-11-16-10-6-7-14-19(16)17/h6-8,10-12,14,18,20H,3-5,9,13,15H2,1-2H3.
What are the key properties of N-(naphthalen-1-ylmethyl)octan-4-amine?
N-(naphthalen-1-ylmethyl)octan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)octan-4-amine is sourced from PubChem (CID 106023258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).