N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine

C17H25N — CID 156841468

IUPACN-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C17H25N/c1-7-10-18-15(6)16-9-8-13(4)17(11-16)14(5)12(2)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyYZJPVVIRDFCJFS-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.78
Rot. Bonds5

About N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine

N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine (PubChem CID 156841468) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
PubChem CID156841468
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
SMILESC=C(NCCC)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C17H25N/c1-7-10-18-15(6)16-9-8-13(4)17(11-16)14(5)12(2)3/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyYZJPVVIRDFCJFS-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine
CID 144948591
N-[1-(4-methoxy-3-methylphenyl)ethenyl]propan-1-amine
CID 142928998
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
2,2-dimethylbutane;ethane;N-[1-[4-methyl-3-(5-prop-1-en-2-yl-2-pyridinyl)phenyl]ethenyl]propan-1-amine
CID 156867611
N-[1-(4-phenylphenyl)ethenyl]propan-1-amine
CID 143032131
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
(1R)-N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]-1-(4-nitrophenyl)ethanamine
CID 144948717
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
5-[1-(butylamino)ethenyl]-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-2-methylaniline
CID 144513961
(3E)-4-(5-chloro-2-methylphenyl)-N-ethyl-3-methylpenta-1,3-dien-2-amine
CID 146181562
1-(4-fluorophenyl)-N-propylpropa-1,2-dien-1-amine
CID 176546647

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine?
The IUPAC name of N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine (CID 156841468) is N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine?
The canonical SMILES for N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine is C=C(NCCC)c1ccc(C)c(C(C)=C(C)C)c1.
What is the InChIKey of N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine?
The InChIKey is YZJPVVIRDFCJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-7-10-18-15(6)16-9-8-13(4)17(11-16)14(5)12(2)3/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine?
N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine is sourced from PubChem (CID 156841468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).