4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine

C17H27N — CID 140670775

IUPAC4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine
SMILESC=Cc1cccc(C(C)C(CCC)CCCN)c1
InChIInChI=1S/C17H27N/c1-4-8-16(11-7-12-18)14(3)17-10-6-9-15(5-2)13-17/h5-6,9-10,13-14,16H,2,4,7-8,11-12,18H2,1,3H3
InChIKeyUZYGHCSCNCKKDF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.59
Rot. Bonds8

About 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine

4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine (PubChem CID 140670775) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine.

Molecular Properties

Compound Name4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine
PubChem CID140670775
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine
SMILESC=Cc1cccc(C(C)C(CCC)CCCN)c1
InChIInChI=1S/C17H27N/c1-4-8-16(11-7-12-18)14(3)17-10-6-9-15(5-2)13-17/h5-6,9-10,13-14,16H,2,4,7-8,11-12,18H2,1,3H3
InChIKeyUZYGHCSCNCKKDF-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-ethenylphenyl)methyl]heptan-1-amine
CID 140670772
N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
CID 151487959
N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
CID 150497042
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
CID 131152404
4-(4-ethenylphenyl)pentan-1-amine
CID 156902125
1-(6,6-difluoro-3-propylhexan-2-yl)-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 144757016
1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
1-(3-ethenylphenyl)-N-fluoroethanamine
CID 174901284
3-pentan-2-ylbenzaldehyde
CID 139685912
3-(1-aminoheptan-4-yl)phenol
CID 83930253
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine?
The IUPAC name of 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine (CID 140670775) is 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine.
What is the SMILES notation for 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine?
The canonical SMILES for 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine is C=Cc1cccc(C(C)C(CCC)CCCN)c1.
What is the InChIKey of 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine?
The InChIKey is UZYGHCSCNCKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-8-16(11-7-12-18)14(3)17-10-6-9-15(5-2)13-17/h5-6,9-10,13-14,16H,2,4,7-8,11-12,18H2,1,3H3.
What are the key properties of 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine?
4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethenylphenyl)ethyl]heptan-1-amine is sourced from PubChem (CID 140670775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).