8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine

C21H41N — CID 167036786

IUPAC8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
SMILESC=C(C)CCCCCCCN(CCC)CCCCCC(=C)C
InChIInChI=1S/C21H41N/c1-6-17-22(19-14-10-12-16-21(4)5)18-13-9-7-8-11-15-20(2)3/h2,4,6-19H2,1,3,5H3
InChIKeyXTCZFNLUHFNSIO-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.75
Rot. Bonds16

About 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine

8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine (PubChem CID 167036786) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine.

Molecular Properties

Compound Name8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
PubChem CID167036786
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
SMILESC=C(C)CCCCCCCN(CCC)CCCCCC(=C)C
InChIInChI=1S/C21H41N/c1-6-17-22(19-14-10-12-16-21(4)5)18-13-9-7-8-11-15-20(2)3/h2,4,6-19H2,1,3,5H3
InChIKeyXTCZFNLUHFNSIO-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.75
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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Related Compounds

N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
ethane;2-methyloct-1-ene
CID 143077596
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2,14-dimethylpentadeca-1,14-diene
CID 123962057
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-(8-methylideneoctadecyl)-N-(8-methylnon-8-enyl)-N'-[(Z)-prop-1-enyl]-N'-prop-1-en-2-ylpropane-1,3-diamine
CID 170031345
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
11-hexyl-N-(9-hexylheptadecyl)-8-methylidene-N-propylnonadecan-1-amine
CID 170077856
2-methylhex-1-ene
CID 158402499

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine?
The IUPAC name of 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine (CID 167036786) is 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine.
What is the SMILES notation for 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine?
The canonical SMILES for 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine is C=C(C)CCCCCCCN(CCC)CCCCCC(=C)C.
What is the InChIKey of 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine?
The InChIKey is XTCZFNLUHFNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-6-17-22(19-14-10-12-16-21(4)5)18-13-9-7-8-11-15-20(2)3/h2,4,6-19H2,1,3,5H3.
What are the key properties of 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine?
8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine has a molecular weight of 307.57 g/mol, XLogP of 6.75, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine is sourced from PubChem (CID 167036786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).