N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane

C63H131N — CID 145405517

IUPACN-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane
SMILESC=CCCN(CCCCCCCCCC)CCCCCCCCCCC(=C)C.CC.CCCCCCCCC(CC)CC(C)CCCCC.CCCCCCCCCCCCCCC
InChIInChI=1S/C27H53N.C19H40.C15H32.C2H6/c1-5-7-9-10-11-15-18-21-25-28(24-8-6-2)26-22-19-16-13-12-14-17-20-23-27(3)4;1-5-8-10-11-12-14-16-19(7-3)17-18(4)15-13-9-6-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2/h6H,2-3,5,7-26H2,1,4H3;18-19H,5-17H2,1-4H3;3-15H2,1-2H3;1-2H3
InChIKeyUPXLJYMOGGDWKF-UHFFFAOYSA-N
MW902.75 g/mol
LogP23.59
Rot. Bonds49

About N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane

N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane (PubChem CID 145405517) has the molecular formula C63H131N and a molecular weight of 902.75 g/mol. Its IUPAC name is N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane.

Molecular Properties

Compound NameN-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane
PubChem CID145405517
Molecular FormulaC63H131N
Molecular Weight902.75 g/mol
Exact Mass902.03
IUPAC NameN-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane
SMILESC=CCCN(CCCCCCCCCC)CCCCCCCCCCC(=C)C.CC.CCCCCCCCC(CC)CC(C)CCCCC.CCCCCCCCCCCCCCC
InChIInChI=1S/C27H53N.C19H40.C15H32.C2H6/c1-5-7-9-10-11-15-18-21-25-28(24-8-6-2)26-22-19-16-13-12-14-17-20-23-27(3)4;1-5-8-10-11-12-14-16-19(7-3)17-18(4)15-13-9-6-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2/h6H,2-3,5,7-26H2,1,4H3;18-19H,5-17H2,1-4H3;3-15H2,1-2H3;1-2H3
InChIKeyUPXLJYMOGGDWKF-UHFFFAOYSA-N
XLogP23.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds49
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.75
LogP ≤ 523.59
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'}

Analyze N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane with MolForge

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Related Compounds

ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
2,11-dimethylnonadec-1-ene
CID 123484198
11-ethyl-9-methylhenicosane
CID 154589575
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
5-ethyl-7-methylhexadecane
CID 173452938
N-butyl-N-(7-methylnonyl)tetradecan-1-amine
CID 172562236
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791
ethane;heptane;10-hex-1-en-2-ylsulfanyl-2-methylnonadeca-1,18-diene
CID 156639906
8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
CID 167036786
2,7-dimethylnon-1-ene
CID 123682074
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
8-ethylpentadec-1-ene
CID 91081893

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane?
The IUPAC name of N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane (CID 145405517) is N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane.
What is the SMILES notation for N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane?
The canonical SMILES for N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane is C=CCCN(CCCCCCCCCC)CCCCCCCCCCC(=C)C.CC.CCCCCCCCC(CC)CC(C)CCCCC.CCCCCCCCCCCCCCC.
What is the InChIKey of N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane?
The InChIKey is UPXLJYMOGGDWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N.C19H40.C15H32.C2H6/c1-5-7-9-10-11-15-18-21-25-28(24-8-6-2)26-22-19-16-13-12-14-17-20-23-27(3)4;1-5-8-10-11-12-14-16-19(7-3)17-18(4)15-13-9-6-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-2/h6H,2-3,5,7-26H2,1,4H3;18-19H,5-17H2,1-4H3;3-15H2,1-2H3;1-2H3.
What are the key properties of N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane?
N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane has a molecular weight of 902.75 g/mol, XLogP of 23.59, 49 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane is sourced from PubChem (CID 145405517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).