N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine

C18H21N — CID 104805323

IUPACN-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cccc2ccccc12
InChIInChI=1S/C18H21N/c1-3-5-6-14-18(19-4-2)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18-19H,4,6,14H2,1-2H3
InChIKeyXFVDZCRJLBSFFT-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.29
Rot. Bonds5

About N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine

N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine (PubChem CID 104805323) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
PubChem CID104805323
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine
SMILESCC#CCCC(NCC)c1cccc2ccccc12
InChIInChI=1S/C18H21N/c1-3-5-6-14-18(19-4-2)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18-19H,4,6,14H2,1-2H3
InChIKeyXFVDZCRJLBSFFT-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-1-naphthalen-1-ylhex-4-yn-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

1-(3-bromo-2-chlorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037408
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
2-tert-butylsulfinyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 64651937
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
N-ethyl-2-ethylsulfinyl-1-naphthalen-1-ylethanamine
CID 64653562
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
1-(2,5-dibromothiophen-3-yl)-N-ethylhex-4-yn-1-amine
CID 107969050
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine?
The IUPAC name of N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine (CID 104805323) is N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine is CC#CCCC(NCC)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine?
The InChIKey is XFVDZCRJLBSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-5-6-14-18(19-4-2)17-13-9-11-15-10-7-8-12-16(15)17/h7-13,18-19H,4,6,14H2,1-2H3.
What are the key properties of N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine?
N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-naphthalen-1-ylhex-4-yn-1-amine is sourced from PubChem (CID 104805323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).