N-[(1-octoxycyclohexyl)methyl]cyclopropanamine

C18H35NO — CID 63476268

IUPACN-[(1-octoxycyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCCCOC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-10-15-20-18(13-8-7-9-14-18)16-19-17-11-12-17/h17,19H,2-16H2,1H3
InChIKeyPCBYFICKZABQFN-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.82
Rot. Bonds11

About N-[(1-octoxycyclohexyl)methyl]cyclopropanamine

N-[(1-octoxycyclohexyl)methyl]cyclopropanamine (PubChem CID 63476268) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[(1-octoxycyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-octoxycyclohexyl)methyl]cyclopropanamine
PubChem CID63476268
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[(1-octoxycyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCCCOC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-10-15-20-18(13-8-7-9-14-18)16-19-17-11-12-17/h17,19H,2-16H2,1H3
InChIKeyPCBYFICKZABQFN-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337

Frequently Asked Questions

What is the IUPAC name of N-[(1-octoxycyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-octoxycyclohexyl)methyl]cyclopropanamine (CID 63476268) is N-[(1-octoxycyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-octoxycyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-octoxycyclohexyl)methyl]cyclopropanamine is CCCCCCCCOC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[(1-octoxycyclohexyl)methyl]cyclopropanamine?
The InChIKey is PCBYFICKZABQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-10-15-20-18(13-8-7-9-14-18)16-19-17-11-12-17/h17,19H,2-16H2,1H3.
What are the key properties of N-[(1-octoxycyclohexyl)methyl]cyclopropanamine?
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine has a molecular weight of 281.48 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octoxycyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 63476268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).