N-ethyl-1-naphthalen-2-ylheptan-2-amine

C19H27N — CID 63527367

IUPACN-ethyl-1-naphthalen-2-ylheptan-2-amine
SMILESCCCCCC(Cc1ccc2ccccc2c1)NCC
InChIInChI=1S/C19H27N/c1-3-5-6-11-19(20-4-2)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,3-6,11,15H2,1-2H3
InChIKeyMXRFSZBCQHCUKB-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.94
Rot. Bonds8

About N-ethyl-1-naphthalen-2-ylheptan-2-amine

N-ethyl-1-naphthalen-2-ylheptan-2-amine (PubChem CID 63527367) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-2-ylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-2-ylheptan-2-amine
PubChem CID63527367
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-1-naphthalen-2-ylheptan-2-amine
SMILESCCCCCC(Cc1ccc2ccccc2c1)NCC
InChIInChI=1S/C19H27N/c1-3-5-6-11-19(20-4-2)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,3-6,11,15H2,1-2H3
InChIKeyMXRFSZBCQHCUKB-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.94
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

N-ethyl-5-methyl-1-naphthalen-2-ylhexan-2-amine
CID 63527714
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
2-(2-phenylheptyl)naphthalene
CID 174423017
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-2-ylheptan-2-amine?
The IUPAC name of N-ethyl-1-naphthalen-2-ylheptan-2-amine (CID 63527367) is N-ethyl-1-naphthalen-2-ylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-naphthalen-2-ylheptan-2-amine?
The canonical SMILES for N-ethyl-1-naphthalen-2-ylheptan-2-amine is CCCCCC(Cc1ccc2ccccc2c1)NCC.
What is the InChIKey of N-ethyl-1-naphthalen-2-ylheptan-2-amine?
The InChIKey is MXRFSZBCQHCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-6-11-19(20-4-2)15-16-12-13-17-9-7-8-10-18(17)14-16/h7-10,12-14,19-20H,3-6,11,15H2,1-2H3.
What are the key properties of N-ethyl-1-naphthalen-2-ylheptan-2-amine?
N-ethyl-1-naphthalen-2-ylheptan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-2-ylheptan-2-amine is sourced from PubChem (CID 63527367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).