N-(6-methylhept-6-enyl)-N-propyloctan-1-amine

C19H39N — CID 167036910

IUPACN-(6-methylhept-6-enyl)-N-propyloctan-1-amine
SMILESC=C(C)CCCCCN(CCC)CCCCCCCC
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-13-17-20(16-6-2)18-14-11-12-15-19(3)4/h3,5-18H2,1-2,4H3
InChIKeyGIPAWVXPQOGYNV-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.20
Rot. Bonds15

About N-(6-methylhept-6-enyl)-N-propyloctan-1-amine

N-(6-methylhept-6-enyl)-N-propyloctan-1-amine (PubChem CID 167036910) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-(6-methylhept-6-enyl)-N-propyloctan-1-amine.

Molecular Properties

Compound NameN-(6-methylhept-6-enyl)-N-propyloctan-1-amine
PubChem CID167036910
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-(6-methylhept-6-enyl)-N-propyloctan-1-amine
SMILESC=C(C)CCCCCN(CCC)CCCCCCCC
InChIInChI=1S/C19H39N/c1-5-7-8-9-10-13-17-20(16-6-2)18-14-11-12-15-19(3)4/h3,5-18H2,1-2,4H3
InChIKeyGIPAWVXPQOGYNV-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.20
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

8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
CID 167036786
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
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
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N,N-dioctyloctan-1-amine
CID 14227

Frequently Asked Questions

What is the IUPAC name of N-(6-methylhept-6-enyl)-N-propyloctan-1-amine?
The IUPAC name of N-(6-methylhept-6-enyl)-N-propyloctan-1-amine (CID 167036910) is N-(6-methylhept-6-enyl)-N-propyloctan-1-amine.
What is the SMILES notation for N-(6-methylhept-6-enyl)-N-propyloctan-1-amine?
The canonical SMILES for N-(6-methylhept-6-enyl)-N-propyloctan-1-amine is C=C(C)CCCCCN(CCC)CCCCCCCC.
What is the InChIKey of N-(6-methylhept-6-enyl)-N-propyloctan-1-amine?
The InChIKey is GIPAWVXPQOGYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-7-8-9-10-13-17-20(16-6-2)18-14-11-12-15-19(3)4/h3,5-18H2,1-2,4H3.
What are the key properties of N-(6-methylhept-6-enyl)-N-propyloctan-1-amine?
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.20, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhept-6-enyl)-N-propyloctan-1-amine is sourced from PubChem (CID 167036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).