3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine

C21H31N — CID 130392686

IUPAC3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
SMILESCCCCC(CC)CCNC(C)c1cccc2ccccc12
InChIInChI=1S/C21H31N/c1-4-6-10-18(5-2)15-16-22-17(3)20-14-9-12-19-11-7-8-13-21(19)20/h7-9,11-14,17-18,22H,4-6,10,15-16H2,1-3H3
InChIKeyIQYMSKYNMXHLBN-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.10
Rot. Bonds9

About 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine

3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine (PubChem CID 130392686) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
PubChem CID130392686
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine
SMILESCCCCC(CC)CCNC(C)c1cccc2ccccc12
InChIInChI=1S/C21H31N/c1-4-6-10-18(5-2)15-16-22-17(3)20-14-9-12-19-11-7-8-13-21(19)20/h7-9,11-14,17-18,22H,4-6,10,15-16H2,1-3H3
InChIKeyIQYMSKYNMXHLBN-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine (CID 130392686) is 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine is CCCCC(CC)CCNC(C)c1cccc2ccccc12.
What is the InChIKey of 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine?
The InChIKey is IQYMSKYNMXHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-4-6-10-18(5-2)15-16-22-17(3)20-14-9-12-19-11-7-8-13-21(19)20/h7-9,11-14,17-18,22H,4-6,10,15-16H2,1-3H3.
What are the key properties of 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine?
3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-naphthalen-1-ylethyl)heptan-1-amine is sourced from PubChem (CID 130392686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).