N-butyl-9-cyclopropylidene-N-methyldecan-1-amine

C18H35N — CID 168880713

IUPACN-butyl-9-cyclopropylidene-N-methyldecan-1-amine
SMILESCCCCN(C)CCCCCCCCC(C)=C1CC1
InChIInChI=1S/C18H35N/c1-4-5-15-19(3)16-11-9-7-6-8-10-12-17(2)18-13-14-18/h4-16H2,1-3H3
InChIKeyILOXUYIHWXAIHG-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.56
Rot. Bonds12

About N-butyl-9-cyclopropylidene-N-methyldecan-1-amine

N-butyl-9-cyclopropylidene-N-methyldecan-1-amine (PubChem CID 168880713) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-butyl-9-cyclopropylidene-N-methyldecan-1-amine.

Molecular Properties

Compound NameN-butyl-9-cyclopropylidene-N-methyldecan-1-amine
PubChem CID168880713
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-butyl-9-cyclopropylidene-N-methyldecan-1-amine
SMILESCCCCN(C)CCCCCCCCC(C)=C1CC1
InChIInChI=1S/C18H35N/c1-4-5-15-19(3)16-11-9-7-6-8-10-12-17(2)18-13-14-18/h4-16H2,1-3H3
InChIKeyILOXUYIHWXAIHG-UHFFFAOYSA-N
XLogP5.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.56
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

nonan-2-ylidenecyclopropane
CID 11446546
heptan-2-ylidenecyclopropane
CID 123254975
undecan-2-ylidenecyclobutane
CID 123541607
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of N-butyl-9-cyclopropylidene-N-methyldecan-1-amine?
The IUPAC name of N-butyl-9-cyclopropylidene-N-methyldecan-1-amine (CID 168880713) is N-butyl-9-cyclopropylidene-N-methyldecan-1-amine.
What is the SMILES notation for N-butyl-9-cyclopropylidene-N-methyldecan-1-amine?
The canonical SMILES for N-butyl-9-cyclopropylidene-N-methyldecan-1-amine is CCCCN(C)CCCCCCCCC(C)=C1CC1.
What is the InChIKey of N-butyl-9-cyclopropylidene-N-methyldecan-1-amine?
The InChIKey is ILOXUYIHWXAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-5-15-19(3)16-11-9-7-6-8-10-12-17(2)18-13-14-18/h4-16H2,1-3H3.
What are the key properties of N-butyl-9-cyclopropylidene-N-methyldecan-1-amine?
N-butyl-9-cyclopropylidene-N-methyldecan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-9-cyclopropylidene-N-methyldecan-1-amine is sourced from PubChem (CID 168880713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).