N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine

C16H23N — CID 134531448

IUPACN-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
SMILESC=Cc1ccc(CCNC(=C)C)cc1CCC
InChIInChI=1S/C16H23N/c1-5-7-16-12-14(8-9-15(16)6-2)10-11-17-13(3)4/h6,8-9,12,17H,2-3,5,7,10-11H2,1,4H3
InChIKeyMTFIHTPAIYAHGF-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine

N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine (PubChem CID 134531448) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
PubChem CID134531448
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine
SMILESC=Cc1ccc(CCNC(=C)C)cc1CCC
InChIInChI=1S/C16H23N/c1-5-7-16-12-14(8-9-15(16)6-2)10-11-17-13(3)4/h6,8-9,12,17H,2-3,5,7,10-11H2,1,4H3
InChIKeyMTFIHTPAIYAHGF-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2,4-dipropylbenzene
CID 22033822
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
1-ethenyl-4-iodo-2-propylbenzene
CID 141346319
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
1,4-dibutyl-2-ethenylbenzene
CID 140596757
2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
CID 177009018
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
ethane;2-ethenyl-4-methyl-1-propylbenzene;2-ethenyl-7-[(Z)-2-(7-propylnaphthalen-2-yl)ethenyl]naphthalene
CID 143531982
N-methyl-2,4-dipropylaniline
CID 23348993
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
CID 144546494
N-[2-(2-ethenyl-4,5-dimethoxyphenyl)ethyl]acetamide
CID 15381971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine (CID 134531448) is N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine is C=Cc1ccc(CCNC(=C)C)cc1CCC.
What is the InChIKey of N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine?
The InChIKey is MTFIHTPAIYAHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-7-16-12-14(8-9-15(16)6-2)10-11-17-13(3)4/h6,8-9,12,17H,2-3,5,7,10-11H2,1,4H3.
What are the key properties of N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine?
N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethenyl-3-propylphenyl)ethyl]prop-1-en-2-amine is sourced from PubChem (CID 134531448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).