3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine

C17H24N2 — CID 43428349

IUPAC3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
SMILESCCC(CCN)N(CC)c1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-3-15(12-13-18)19(4-2)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,3-4,12-13,18H2,1-2H3
InChIKeyMHCFXVFFYLAPJD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.79
Rot. Bonds6

About 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine

3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine (PubChem CID 43428349) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
PubChem CID43428349
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
SMILESCCC(CCN)N(CC)c1cccc2ccccc12
InChIInChI=1S/C17H24N2/c1-3-15(12-13-18)19(4-2)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,3-4,12-13,18H2,1-2H3
InChIKeyMHCFXVFFYLAPJD-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-4-methylsulfanyl-2-N-naphthalen-1-ylbutane-1,2-diamine
CID 60811790
2-N-ethyl-3-methyl-2-N-naphthalen-1-ylpentane-1,2-diamine
CID 43312452
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propylbutane-1,2-diamine
CID 63492049
2-N-ethyl-1-N-(2-methylpropyl)-2-N-naphthalen-1-ylpropane-1,2-diamine
CID 63491689
N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
CID 43184723
4-N-ethyl-4-N-quinolin-4-ylhexane-1,4-diamine
CID 67124581
2-N-ethyl-2-N-naphthalen-1-yl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424029
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
2-N-ethyl-2-N-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 62429680
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine (CID 43428349) is 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine is CCC(CCN)N(CC)c1cccc2ccccc12.
What is the InChIKey of 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine?
The InChIKey is MHCFXVFFYLAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-15(12-13-18)19(4-2)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,3-4,12-13,18H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine?
3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine is sourced from PubChem (CID 43428349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).