2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine

C18H29N — CID 134316527

IUPAC2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine
SMILESCC/C=C(\CCC)c1ccc(C(C)C(N)CC)cc1
InChIInChI=1S/C18H29N/c1-5-8-16(9-6-2)17-12-10-15(11-13-17)14(4)18(19)7-3/h8,10-14,18H,5-7,9,19H2,1-4H3/b16-8+
InChIKeyZLURWDLDNZMZEV-LZYBPNLTSA-N
MW259.44 g/mol
LogP5.12
Rot. Bonds7

About 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine

2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine (PubChem CID 134316527) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine.

Molecular Properties

Compound Name2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine
PubChem CID134316527
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine
SMILESCC/C=C(\CCC)c1ccc(C(C)C(N)CC)cc1
InChIInChI=1S/C18H29N/c1-5-8-16(9-6-2)17-12-10-15(11-13-17)14(4)18(19)7-3/h8,10-14,18H,5-7,9,19H2,1-4H3/b16-8+
InChIKeyZLURWDLDNZMZEV-LZYBPNLTSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-phenylphenyl)pentan-3-amine
CID 79308070
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
3-[4-[(E)-hept-3-en-4-yl]phenyl]prop-2-yn-1-ol
CID 134394928
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
4-amino-3-(4-propan-2-ylphenyl)hexan-1-ol
CID 66090556
4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
CID 143116138
[(Z)-non-3-en-4-yl]benzene
CID 101008148
4-(3-methylpentan-2-yl)benzamide
CID 126657369
1-amino-1-(4-propan-2-ylphenyl)pentan-2-one
CID 154651058
1-[(5Z)-hepta-1,5-dien-3-yl]-3-[(E)-hept-3-en-4-yl]-5-iodobenzene
CID 89170541
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
3-[2-[4-[(E,7R)-7-methylnon-4-en-4-yl]phenyl]ethynyl]azetidine
CID 166697958

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine?
The IUPAC name of 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine (CID 134316527) is 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine.
What is the SMILES notation for 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine?
The canonical SMILES for 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine is CC/C=C(\CCC)c1ccc(C(C)C(N)CC)cc1.
What is the InChIKey of 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine?
The InChIKey is ZLURWDLDNZMZEV-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H29N/c1-5-8-16(9-6-2)17-12-10-15(11-13-17)14(4)18(19)7-3/h8,10-14,18H,5-7,9,19H2,1-4H3/b16-8+.
What are the key properties of 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine?
2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine has a molecular weight of 259.44 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine is sourced from PubChem (CID 134316527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).