1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine

C14H24N2 — CID 62044666

IUPAC1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
SMILESCCCC(CN(CC)c1ccccc1)NC
InChIInChI=1S/C14H24N2/c1-4-9-13(15-3)12-16(5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3
InChIKeyQBVAZLGMXJHVKU-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds7

About 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine

1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine (PubChem CID 62044666) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
PubChem CID62044666
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
SMILESCCCC(CN(CC)c1ccccc1)NC
InChIInChI=1S/C14H24N2/c1-4-9-13(15-3)12-16(5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3
InChIKeyQBVAZLGMXJHVKU-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-(4-fluorophenyl)-2-N-methylpentane-1,2-diamine
CID 62041448
N-[2-(bromomethyl)pentyl]-N-ethylaniline
CID 65011239
N,N-diethylaniline
CID 7061
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
N,N-diethylaniline;hydrazine
CID 161037544
1-N-ethyl-3-methoxy-2-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 107505630
1-N-ethyl-1-N,2-N-dimethylpentane-1,2-diamine
CID 62044232
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
CID 59671995
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
N-[2-(bromomethyl)butyl]-N-ethylaniline
CID 65000533
dichloromethane;N,N-diethylaniline
CID 157472052

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine (CID 62044666) is 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine is CCCC(CN(CC)c1ccccc1)NC.
What is the InChIKey of 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine?
The InChIKey is QBVAZLGMXJHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-9-13(15-3)12-16(5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine?
1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine is sourced from PubChem (CID 62044666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).