N-ethenyl-7-(3-methylphenyl)heptan-3-amine

C16H25N — CID 142208661

IUPACN-ethenyl-7-(3-methylphenyl)heptan-3-amine
SMILESC=CNC(CC)CCCCc1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-16(17-5-2)12-7-6-10-15-11-8-9-14(3)13-15/h5,8-9,11,13,16-17H,2,4,6-7,10,12H2,1,3H3
InChIKeyKFRQUOAHSLOMPT-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.22
Rot. Bonds8

About N-ethenyl-7-(3-methylphenyl)heptan-3-amine

N-ethenyl-7-(3-methylphenyl)heptan-3-amine (PubChem CID 142208661) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethenyl-7-(3-methylphenyl)heptan-3-amine.

Molecular Properties

Compound NameN-ethenyl-7-(3-methylphenyl)heptan-3-amine
PubChem CID142208661
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-ethenyl-7-(3-methylphenyl)heptan-3-amine
SMILESC=CNC(CC)CCCCc1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-16(17-5-2)12-7-6-10-15-11-8-9-14(3)13-15/h5,8-9,11,13,16-17H,2,4,6-7,10,12H2,1,3H3
InChIKeyKFRQUOAHSLOMPT-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethenyl-8-(3-methylphenyl)oct-5-en-4-amine
CID 142208632
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
ethane;1-methyl-3-pentylbenzene
CID 143267779
6-(3-methylphenyl)hexan-3-ol
CID 64513249
N-[(3-methylphenyl)methyl]heptan-3-amine
CID 63946684
N-ethyl-1-(3-methylphenyl)hex-5-en-3-amine
CID 105108675
1-methyl-3-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene
CID 142383088
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
5-(3-methylphenyl)pent-1-en-3-ylhydrazine
CID 105318126
5-(3-methylphenyl)-N-propylpent-1-en-3-amine
CID 105161314
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
5-(3-methylphenyl)pentan-2-amine
CID 64502928

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-7-(3-methylphenyl)heptan-3-amine?
The IUPAC name of N-ethenyl-7-(3-methylphenyl)heptan-3-amine (CID 142208661) is N-ethenyl-7-(3-methylphenyl)heptan-3-amine.
What is the SMILES notation for N-ethenyl-7-(3-methylphenyl)heptan-3-amine?
The canonical SMILES for N-ethenyl-7-(3-methylphenyl)heptan-3-amine is C=CNC(CC)CCCCc1cccc(C)c1.
What is the InChIKey of N-ethenyl-7-(3-methylphenyl)heptan-3-amine?
The InChIKey is KFRQUOAHSLOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-16(17-5-2)12-7-6-10-15-11-8-9-14(3)13-15/h5,8-9,11,13,16-17H,2,4,6-7,10,12H2,1,3H3.
What are the key properties of N-ethenyl-7-(3-methylphenyl)heptan-3-amine?
N-ethenyl-7-(3-methylphenyl)heptan-3-amine has a molecular weight of 231.38 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-7-(3-methylphenyl)heptan-3-amine is sourced from PubChem (CID 142208661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).