2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine

C14H22N2 — CID 174672832

IUPAC2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
SMILESC/C=C(/C)c1c(NCC)cccc1NCC
InChIInChI=1S/C14H22N2/c1-5-11(4)14-12(15-6-2)9-8-10-13(14)16-7-3/h5,8-10,15-16H,6-7H2,1-4H3/b11-5-
InChIKeyABQPYYLLRVBFKD-WZUFQYTHSA-N
MW218.34 g/mol
LogP3.97
Rot. Bonds5

About 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine

2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine (PubChem CID 174672832) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
PubChem CID174672832
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
SMILESC/C=C(/C)c1c(NCC)cccc1NCC
InChIInChI=1S/C14H22N2/c1-5-11(4)14-12(15-6-2)9-8-10-13(14)16-7-3/h5,8-10,15-16H,6-7H2,1-4H3/b11-5-
InChIKeyABQPYYLLRVBFKD-WZUFQYTHSA-N
XLogP3.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175798397
CID 175798397
3-(ethylamino)benzene-1,2-diol
CID 69118528
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584
N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
2-[(Z)-but-2-en-2-yl]-1-ethenyl-3-propylbenzene
CID 156747890
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
2-ethyl-3-(ethylamino)benzenesulfonic acid
CID 54128758
CID 67277559
CID 67277559

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine (CID 174672832) is 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine is C/C=C(/C)c1c(NCC)cccc1NCC.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine?
The InChIKey is ABQPYYLLRVBFKD-WZUFQYTHSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-11(4)14-12(15-6-2)9-8-10-13(14)16-7-3/h5,8-10,15-16H,6-7H2,1-4H3/b11-5-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine?
2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine is sourced from PubChem (CID 174672832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).