N-(1-naphthalen-1-ylethyl)octan-2-amine

C20H29N — CID 43130017

IUPACN-(1-naphthalen-1-ylethyl)octan-2-amine
SMILESCCCCCCC(C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-4-5-6-7-11-16(2)21-17(3)19-15-10-13-18-12-8-9-14-20(18)19/h8-10,12-17,21H,4-7,11H2,1-3H3
InChIKeyCTCGFYAHKCKSHX-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.85
Rot. Bonds8

About N-(1-naphthalen-1-ylethyl)octan-2-amine

N-(1-naphthalen-1-ylethyl)octan-2-amine (PubChem CID 43130017) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)octan-2-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)octan-2-amine
PubChem CID43130017
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-(1-naphthalen-1-ylethyl)octan-2-amine
SMILESCCCCCCC(C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-4-5-6-7-11-16(2)21-17(3)19-15-10-13-18-12-8-9-14-20(18)19/h8-10,12-17,21H,4-7,11H2,1-3H3
InChIKeyCTCGFYAHKCKSHX-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.85
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-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)octan-2-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)octan-2-amine (CID 43130017) is N-(1-naphthalen-1-ylethyl)octan-2-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)octan-2-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)octan-2-amine is CCCCCCC(C)NC(C)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)octan-2-amine?
The InChIKey is CTCGFYAHKCKSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-4-5-6-7-11-16(2)21-17(3)19-15-10-13-18-12-8-9-14-20(18)19/h8-10,12-17,21H,4-7,11H2,1-3H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)octan-2-amine?
N-(1-naphthalen-1-ylethyl)octan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)octan-2-amine is sourced from PubChem (CID 43130017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).