N-(naphthalen-2-ylmethyl)octan-4-amine

C19H27N — CID 106023636

IUPACN-(naphthalen-2-ylmethyl)octan-4-amine
SMILESCCCCC(CCC)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H27N/c1-3-5-11-19(8-4-2)20-15-16-12-13-17-9-6-7-10-18(17)14-16/h6-7,9-10,12-14,19-20H,3-5,8,11,15H2,1-2H3
InChIKeyGHFTVLHSLBJUAJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.29
Rot. Bonds8

About N-(naphthalen-2-ylmethyl)octan-4-amine

N-(naphthalen-2-ylmethyl)octan-4-amine (PubChem CID 106023636) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)octan-4-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)octan-4-amine
PubChem CID106023636
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-(naphthalen-2-ylmethyl)octan-4-amine
SMILESCCCCC(CCC)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H27N/c1-3-5-11-19(8-4-2)20-15-16-12-13-17-9-6-7-10-18(17)14-16/h6-7,9-10,12-14,19-20H,3-5,8,11,15H2,1-2H3
InChIKeyGHFTVLHSLBJUAJ-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

N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
CID 106023567
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
N-benzyltridecan-6-amine
CID 166644944
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
CID 106023126

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)octan-4-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)octan-4-amine (CID 106023636) is N-(naphthalen-2-ylmethyl)octan-4-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)octan-4-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)octan-4-amine is CCCCC(CCC)NCc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)octan-4-amine?
The InChIKey is GHFTVLHSLBJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-11-19(8-4-2)20-15-16-12-13-17-9-6-7-10-18(17)14-16/h6-7,9-10,12-14,19-20H,3-5,8,11,15H2,1-2H3.
What are the key properties of N-(naphthalen-2-ylmethyl)octan-4-amine?
N-(naphthalen-2-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-2-ylmethyl)octan-4-amine is sourced from PubChem (CID 106023636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).