1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine

C18H26N2 — CID 43095261

IUPAC1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
SMILESCCN(CC(N)CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-20(13-16(19)12-14(2)3)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16H,4,12-13,19H2,1-3H3
InChIKeyWBZOAHSVGVQNDI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.04
Rot. Bonds6

About 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine

1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine (PubChem CID 43095261) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
PubChem CID43095261
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
SMILESCCN(CC(N)CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C18H26N2/c1-4-20(13-16(19)12-14(2)3)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16H,4,12-13,19H2,1-3H3
InChIKeyWBZOAHSVGVQNDI-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 43649715
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
N-(3-bromo-2-methylpropyl)-N-ethylnaphthalen-1-amine
CID 64996339
1-N-ethyl-2-N,3,3-trimethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
CID 63467287
1-[ethyl(naphthalen-1-yl)amino]-3-(methylamino)propan-2-ol
CID 43187919
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
N'-ethyl-N-(2-methylpropyl)-N'-naphthalen-1-ylpropane-1,3-diamine
CID 63467286
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylnaphthalen-1-amine
CID 63484497

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine (CID 43095261) is 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine is CCN(CC(N)CC(C)C)c1cccc2ccccc12.
What is the InChIKey of 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine?
The InChIKey is WBZOAHSVGVQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-20(13-16(19)12-14(2)3)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,14,16H,4,12-13,19H2,1-3H3.
What are the key properties of 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine?
1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine is sourced from PubChem (CID 43095261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).