N-[1-(4-methylphenyl)ethenyl]heptan-4-amine

C16H25N — CID 166131643

IUPACN-[1-(4-methylphenyl)ethenyl]heptan-4-amine
SMILESC=C(NC(CCC)CCC)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-5-7-16(8-6-2)17-14(4)15-11-9-13(3)10-12-15/h9-12,16-17H,4-8H2,1-3H3
InChIKeyHNEOAFAUPHEKMA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(4-methylphenyl)ethenyl]heptan-4-amine

N-[1-(4-methylphenyl)ethenyl]heptan-4-amine (PubChem CID 166131643) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethenyl]heptan-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethenyl]heptan-4-amine
PubChem CID166131643
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[1-(4-methylphenyl)ethenyl]heptan-4-amine
SMILESC=C(NC(CCC)CCC)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-5-7-16(8-6-2)17-14(4)15-11-9-13(3)10-12-15/h9-12,16-17H,4-8H2,1-3H3
InChIKeyHNEOAFAUPHEKMA-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-tert-butylphenyl)ethenyl]heptan-4-amine
CID 138509967
6,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]heptan-2-amine
CID 143117766
(3S)-2,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-1,6-dien-3-amine
CID 170007341
N-[1-(4-methylphenyl)ethenyl]-N',N'-dipropylethane-1,2-diamine
CID 143144030
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
4-methyl-N-octan-4-ylaniline
CID 12779858
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
N-[2-[1-(heptan-4-ylamino)ethenyl]-6-(4-methylphenyl)-3-pyridinyl]-N'-[(4-methylphenyl)methyl]ethanimidamide;2-methylpropane
CID 143706609
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethenyl]heptan-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethenyl]heptan-4-amine (CID 166131643) is N-[1-(4-methylphenyl)ethenyl]heptan-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethenyl]heptan-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethenyl]heptan-4-amine is C=C(NC(CCC)CCC)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethenyl]heptan-4-amine?
The InChIKey is HNEOAFAUPHEKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-7-16(8-6-2)17-14(4)15-11-9-13(3)10-12-15/h9-12,16-17H,4-8H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethenyl]heptan-4-amine?
N-[1-(4-methylphenyl)ethenyl]heptan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethenyl]heptan-4-amine is sourced from PubChem (CID 166131643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).