1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine

C16H22N2 — CID 43649715

IUPAC1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCC(N)CN(CC)c1cccc2ccccc12
InChIInChI=1S/C16H22N2/c1-3-14(17)12-18(4-2)16-11-7-9-13-8-5-6-10-15(13)16/h5-11,14H,3-4,12,17H2,1-2H3
InChIKeyATTGQLRFQWBLKH-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds5

About 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine

1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine (PubChem CID 43649715) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
PubChem CID43649715
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine
SMILESCCC(N)CN(CC)c1cccc2ccccc12
InChIInChI=1S/C16H22N2/c1-3-14(17)12-18(4-2)16-11-7-9-13-8-5-6-10-15(13)16/h5-11,14H,3-4,12,17H2,1-2H3
InChIKeyATTGQLRFQWBLKH-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-4-methyl-1-N-naphthalen-1-ylpentane-1,2-diamine
CID 43095261
(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
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745593
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylnaphthalen-1-amine
CID 63484497
3-N-ethyl-3-N-naphthalen-1-ylpentane-1,3-diamine
CID 43428349
3-[ethyl(naphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 62271078

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine (CID 43649715) is 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine is CCC(N)CN(CC)c1cccc2ccccc12.
What is the InChIKey of 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
The InChIKey is ATTGQLRFQWBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-14(17)12-18(4-2)16-11-7-9-13-8-5-6-10-15(13)16/h5-11,14H,3-4,12,17H2,1-2H3.
What are the key properties of 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine?
1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-naphthalen-1-ylbutane-1,2-diamine is sourced from PubChem (CID 43649715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).