6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane

C40H85N — CID 142475680

IUPAC6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane
SMILESC=C(CCCCCCCCCC)CCC(CCCC)CCCCC.CCCCCCCCCCC.CCCN(C)C
InChIInChI=1S/C24H48.C11H24.C5H13N/c1-5-8-11-12-13-14-15-17-18-23(4)21-22-24(19-10-7-3)20-16-9-6-2;1-3-5-7-9-11-10-8-6-4-2;1-4-5-6(2)3/h24H,4-22H2,1-3H3;3-11H2,1-2H3;4-5H2,1-3H3
InChIKeyKNFPQLMIFCKYQY-UHFFFAOYSA-N
MW580.13 g/mol
LogP14.74
Rot. Bonds29

About 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane

6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane (PubChem CID 142475680) has the molecular formula C40H85N and a molecular weight of 580.13 g/mol. Its IUPAC name is 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane.

Molecular Properties

Compound Name6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane
PubChem CID142475680
Molecular FormulaC40H85N
Molecular Weight580.13 g/mol
Exact Mass579.67
IUPAC Name6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane
SMILESC=C(CCCCCCCCCC)CCC(CCCC)CCCCC.CCCCCCCCCCC.CCCN(C)C
InChIInChI=1S/C24H48.C11H24.C5H13N/c1-5-8-11-12-13-14-15-17-18-23(4)21-22-24(19-10-7-3)20-16-9-6-2;1-3-5-7-9-11-10-8-6-4-2;1-4-5-6(2)3/h24H,4-22H2,1-3H3;3-11H2,1-2H3;4-5H2,1-3H3
InChIKeyKNFPQLMIFCKYQY-UHFFFAOYSA-N
XLogP14.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.13
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane?
The IUPAC name of 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane (CID 142475680) is 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane.
What is the SMILES notation for 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane?
The canonical SMILES for 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane is C=C(CCCCCCCCCC)CCC(CCCC)CCCCC.CCCCCCCCCCC.CCCN(C)C.
What is the InChIKey of 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane?
The InChIKey is KNFPQLMIFCKYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48.C11H24.C5H13N/c1-5-8-11-12-13-14-15-17-18-23(4)21-22-24(19-10-7-3)20-16-9-6-2;1-3-5-7-9-11-10-8-6-4-2;1-4-5-6(2)3/h24H,4-22H2,1-3H3;3-11H2,1-2H3;4-5H2,1-3H3.
What are the key properties of 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane?
6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane has a molecular weight of 580.13 g/mol, XLogP of 14.74, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-9-methylidenenonadecane;N,N-dimethylpropan-1-amine;undecane is sourced from PubChem (CID 142475680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).