(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine

C16H24N2 — CID 82041768

IUPAC(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine
SMILESNCC(/C=C\c1ccccc1)N1CCCCCC1
InChIInChI=1S/C16H24N2/c17-14-16(18-12-6-1-2-7-13-18)11-10-15-8-4-3-5-9-15/h3-5,8-11,16H,1-2,6-7,12-14,17H2/b11-10-
InChIKeyRXOVZLBSNTWQCQ-KHPPLWFESA-N
MW244.38 g/mol
LogP2.90
Rot. Bonds4

About (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine

(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine (PubChem CID 82041768) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine
PubChem CID82041768
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine
SMILESNCC(/C=C\c1ccccc1)N1CCCCCC1
InChIInChI=1S/C16H24N2/c17-14-16(18-12-6-1-2-7-13-18)11-10-15-8-4-3-5-9-15/h3-5,8-11,16H,1-2,6-7,12-14,17H2/b11-10-
InChIKeyRXOVZLBSNTWQCQ-KHPPLWFESA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine
CID 82042444
(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine
CID 82043537
(E)-4-phenyl-2-pyrrolidin-1-ylbut-3-enoic acid
CID 102378815
1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
CID 46784067
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
3-amino-2-piperidin-1-ylpropanal
CID 131967781
1-[(E)-2-phenylethenyl]azepane
CID 146169339
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
(Z,5R)-1,5-diphenyl-5-piperidin-1-ylpent-1-en-3-one
CID 92522992
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82083725
6-phenyl-4-(2-phenylethenyl)hex-5-en-1-amine
CID 139723158

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine?
The IUPAC name of (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine (CID 82041768) is (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine.
What is the SMILES notation for (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine?
The canonical SMILES for (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine is NCC(/C=C\c1ccccc1)N1CCCCCC1.
What is the InChIKey of (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine?
The InChIKey is RXOVZLBSNTWQCQ-KHPPLWFESA-N. The full InChI is InChI=1S/C16H24N2/c17-14-16(18-12-6-1-2-7-13-18)11-10-15-8-4-3-5-9-15/h3-5,8-11,16H,1-2,6-7,12-14,17H2/b11-10-.
What are the key properties of (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine?
(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine is sourced from PubChem (CID 82041768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).