(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine

C16H26N2 — CID 82041821

IUPAC(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine
SMILESCCCCN(CC)C(/C=C\c1ccccc1)CN
InChIInChI=1S/C16H26N2/c1-3-5-13-18(4-2)16(14-17)12-11-15-9-7-6-8-10-15/h6-12,16H,3-5,13-14,17H2,1-2H3/b12-11-
InChIKeyKNKXUPZFZYOKKR-QXMHVHEDSA-N
MW246.40 g/mol
LogP3.15
Rot. Bonds8

About (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine

(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine (PubChem CID 82041821) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine
PubChem CID82041821
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine
SMILESCCCCN(CC)C(/C=C\c1ccccc1)CN
InChIInChI=1S/C16H26N2/c1-3-5-13-18(4-2)16(14-17)12-11-15-9-7-6-8-10-15/h6-12,16H,3-5,13-14,17H2,1-2H3/b12-11-
InChIKeyKNKXUPZFZYOKKR-QXMHVHEDSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(dibutylamino)-4-phenylbut-3-enal
CID 87921406
(E)-N,N-dibutyl-1,1,1-trifluoro-4-phenylbut-3-en-2-amine
CID 24862408
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(Z)-5-phenyl-2-N,2-N-dipropylpent-4-ene-1,2-diamine
CID 82042471
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
[(Z)-3-butan-2-ylnon-1-enyl]benzene
CID 143094188
N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
CID 89198312
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
CID 102992091
N-heptadecyl-N-(2-phenylethenyl)heptadecan-1-amine
CID 139723888
N-nonyl-N-(2-phenylethenyl)nonan-1-amine
CID 139723314

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine (CID 82041821) is (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine is CCCCN(CC)C(/C=C\c1ccccc1)CN.
What is the InChIKey of (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine?
The InChIKey is KNKXUPZFZYOKKR-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-13-18(4-2)16(14-17)12-11-15-9-7-6-8-10-15/h6-12,16H,3-5,13-14,17H2,1-2H3/b12-11-.
What are the key properties of (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine?
(Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-butyl-2-N-ethyl-4-phenylbut-3-ene-1,2-diamine is sourced from PubChem (CID 82041821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).