N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine

C21H35N — CID 143530388

IUPACN-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine
SMILESC=C(NCCCCC)c1cccc(CC(CCC)CCC)c1
InChIInChI=1S/C21H35N/c1-5-8-9-15-22-18(4)21-14-10-13-20(17-21)16-19(11-6-2)12-7-3/h10,13-14,17,19,22H,4-9,11-12,15-16H2,1-3H3
InChIKeyOLTXQQDYVZOAAT-UHFFFAOYSA-N
MW301.52 g/mol
LogP6.20
Rot. Bonds12

About N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine

N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine (PubChem CID 143530388) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine
PubChem CID143530388
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC NameN-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine
SMILESC=C(NCCCCC)c1cccc(CC(CCC)CCC)c1
InChIInChI=1S/C21H35N/c1-5-8-9-15-22-18(4)21-14-10-13-20(17-21)16-19(11-6-2)12-7-3/h10,13-14,17,19,22H,4-9,11-12,15-16H2,1-3H3
InChIKeyOLTXQQDYVZOAAT-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.20
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

1-but-1-en-2-yl-3-(2-propylpentyl)benzene
CID 143530317
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
3-[2-(pentylcarbamoylamino)ethyl]benzoic acid
CID 63794580
1-chloro-3-[2-(chloromethyl)octyl]benzene
CID 66047919
1-nonadecyl-3-[2-[2-(3-nonadecylphenyl)ethyl]tricosyl]benzene
CID 173180979
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
4-[(3-ethenylphenyl)methyl]heptan-1-amine
CID 140670772
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
CID 154938359
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
6-[(3-ethenylphenyl)methyl]nonan-2-one
CID 143818930

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine?
The IUPAC name of N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine (CID 143530388) is N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine.
What is the SMILES notation for N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine?
The canonical SMILES for N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine is C=C(NCCCCC)c1cccc(CC(CCC)CCC)c1.
What is the InChIKey of N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine?
The InChIKey is OLTXQQDYVZOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-5-8-9-15-22-18(4)21-14-10-13-20(17-21)16-19(11-6-2)12-7-3/h10,13-14,17,19,22H,4-9,11-12,15-16H2,1-3H3.
What are the key properties of N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine?
N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine has a molecular weight of 301.52 g/mol, XLogP of 6.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine is sourced from PubChem (CID 143530388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).