N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine

C36H65N — CID 146359679

IUPACN,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine
SMILESCCCCCCCCC(CCC/C=C\c1cc(CCCCC)cc(CN(C)C)c1)CCCCCCCC
InChIInChI=1S/C36H65N/c1-6-9-12-14-16-20-24-33(25-21-17-15-13-10-7-2)26-22-18-23-28-35-29-34(27-19-11-8-3)30-36(31-35)32-37(4)5/h23,28-31,33H,6-22,24-27,32H2,1-5H3/b28-23-
InChIKeyZLVNIHQKXILFCA-NFFVHWSESA-N
MW511.92 g/mol
LogP11.78
Rot. Bonds25

About N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine

N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine (PubChem CID 146359679) has the molecular formula C36H65N and a molecular weight of 511.92 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine
PubChem CID146359679
Molecular FormulaC36H65N
Molecular Weight511.92 g/mol
Exact Mass511.51
IUPAC NameN,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine
SMILESCCCCCCCCC(CCC/C=C\c1cc(CCCCC)cc(CN(C)C)c1)CCCCCCCC
InChIInChI=1S/C36H65N/c1-6-9-12-14-16-20-24-33(25-21-17-15-13-10-7-2)26-22-18-23-28-35-29-34(27-19-11-8-3)30-36(31-35)32-37(4)5/h23,28-31,33H,6-22,24-27,32H2,1-5H3/b28-23-
InChIKeyZLVNIHQKXILFCA-NFFVHWSESA-N
XLogP11.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.92
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis(5-ethenyltetradecyl)phenyl]-N,N-dimethylmethanamine
CID 146359749
N,N-dimethyl-1-[3-(3-methylidene-5-octyltridecyl)-5-pentadecylphenyl]methanamine
CID 146359720
1-[3,5-bis(9-hexyl-3-methylidenepentadecyl)phenyl]-N,N-dimethylmethanamine
CID 146359603
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
lithium 1-(4-hexylphenyl)-N,N-dimethylmethanamine
CID 162333767
2-[3-[(E)-pent-1-enyl]-5-pentylphenyl]acetic acid
CID 153458828
1-decyl-4-hept-1-enylbenzene
CID 173045869
4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-(3-methylundecyl)-3-nonadec-1-enylbenzene
CID 173180950

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine (CID 146359679) is N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine is CCCCCCCCC(CCC/C=C\c1cc(CCCCC)cc(CN(C)C)c1)CCCCCCCC.
What is the InChIKey of N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine?
The InChIKey is ZLVNIHQKXILFCA-NFFVHWSESA-N. The full InChI is InChI=1S/C36H65N/c1-6-9-12-14-16-20-24-33(25-21-17-15-13-10-7-2)26-22-18-23-28-35-29-34(27-19-11-8-3)30-36(31-35)32-37(4)5/h23,28-31,33H,6-22,24-27,32H2,1-5H3/b28-23-.
What are the key properties of N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine?
N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine has a molecular weight of 511.92 g/mol, XLogP of 11.78, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[(Z)-6-octyltetradec-1-enyl]-5-pentylphenyl]methanamine is sourced from PubChem (CID 146359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).