N-[(2-octylcyclobutyl)methyl]cyclopropanamine

C16H31N — CID 81017226

IUPACN-[(2-octylcyclobutyl)methyl]cyclopropanamine
SMILESCCCCCCCCC1CCC1CNC1CC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-6-7-8-14-9-10-15(14)13-17-16-11-12-16/h14-17H,2-13H2,1H3
InChIKeyJSVAFGYOBHPZSI-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.52
Rot. Bonds10

About N-[(2-octylcyclobutyl)methyl]cyclopropanamine

N-[(2-octylcyclobutyl)methyl]cyclopropanamine (PubChem CID 81017226) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(2-octylcyclobutyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-octylcyclobutyl)methyl]cyclopropanamine
PubChem CID81017226
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(2-octylcyclobutyl)methyl]cyclopropanamine
SMILESCCCCCCCCC1CCC1CNC1CC1
InChIInChI=1S/C16H31N/c1-2-3-4-5-6-7-8-14-9-10-15(14)13-17-16-11-12-16/h14-17H,2-13H2,1H3
InChIKeyJSVAFGYOBHPZSI-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144

Frequently Asked Questions

What is the IUPAC name of N-[(2-octylcyclobutyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-octylcyclobutyl)methyl]cyclopropanamine (CID 81017226) is N-[(2-octylcyclobutyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-octylcyclobutyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-octylcyclobutyl)methyl]cyclopropanamine is CCCCCCCCC1CCC1CNC1CC1.
What is the InChIKey of N-[(2-octylcyclobutyl)methyl]cyclopropanamine?
The InChIKey is JSVAFGYOBHPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-14-9-10-15(14)13-17-16-11-12-16/h14-17H,2-13H2,1H3.
What are the key properties of N-[(2-octylcyclobutyl)methyl]cyclopropanamine?
N-[(2-octylcyclobutyl)methyl]cyclopropanamine has a molecular weight of 237.43 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-octylcyclobutyl)methyl]cyclopropanamine is sourced from PubChem (CID 81017226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).