N-methylnonadec-3-en-4-amine

C20H41N — CID 174311135

IUPACN-methylnonadec-3-en-4-amine
SMILESCCC=C(CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(21-3)18-5-2/h18,21H,4-17,19H2,1-3H3
InChIKeyPRHTUYYCJDOOTP-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.98
Rot. Bonds16

About N-methylnonadec-3-en-4-amine

N-methylnonadec-3-en-4-amine (PubChem CID 174311135) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-methylnonadec-3-en-4-amine.

Molecular Properties

Compound NameN-methylnonadec-3-en-4-amine
PubChem CID174311135
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-methylnonadec-3-en-4-amine
SMILESCCC=C(CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(21-3)18-5-2/h18,21H,4-17,19H2,1-3H3
InChIKeyPRHTUYYCJDOOTP-UHFFFAOYSA-N
XLogP6.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.98
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

4-methylheptadec-3-ene
CID 59169426
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
(Z)-dodec-3-en-4-amine
CID 21249690
4-fluoroundec-3-ene
CID 141013194
ethane;N-methyltetradecanamide
CID 153349961
(E)-6-(methylamino)dec-6-enoic acid
CID 149455593
N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide
CID 143986752
2-propylidenedecane-1,1-diol
CID 174657973
N-[(Z)-2-(methylamino)but-2-enyl]hexadecanamide;propane
CID 143986751
4-propylnon-3-ene
CID 57321984

Frequently Asked Questions

What is the IUPAC name of N-methylnonadec-3-en-4-amine?
The IUPAC name of N-methylnonadec-3-en-4-amine (CID 174311135) is N-methylnonadec-3-en-4-amine.
What is the SMILES notation for N-methylnonadec-3-en-4-amine?
The canonical SMILES for N-methylnonadec-3-en-4-amine is CCC=C(CCCCCCCCCCCCCCC)NC.
What is the InChIKey of N-methylnonadec-3-en-4-amine?
The InChIKey is PRHTUYYCJDOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-20(21-3)18-5-2/h18,21H,4-17,19H2,1-3H3.
What are the key properties of N-methylnonadec-3-en-4-amine?
N-methylnonadec-3-en-4-amine has a molecular weight of 295.56 g/mol, XLogP of 6.98, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylnonadec-3-en-4-amine is sourced from PubChem (CID 174311135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).