N-(3-octoxypropyl)cyclohexanamine

C17H35NO — CID 63506430

IUPACN-(3-octoxypropyl)cyclohexanamine
SMILESCCCCCCCCOCCCNC1CCCCC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-10-15-19-16-11-14-18-17-12-8-7-9-13-17/h17-18H,2-16H2,1H3
InChIKeyPNAIYUQKHILBPK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.68
Rot. Bonds12

About N-(3-octoxypropyl)cyclohexanamine

N-(3-octoxypropyl)cyclohexanamine (PubChem CID 63506430) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(3-octoxypropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-octoxypropyl)cyclohexanamine
PubChem CID63506430
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(3-octoxypropyl)cyclohexanamine
SMILESCCCCCCCCOCCCNC1CCCCC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-10-15-19-16-11-14-18-17-12-8-7-9-13-17/h17-18H,2-16H2,1H3
InChIKeyPNAIYUQKHILBPK-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.68
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-dodecylcyclohexanamine
CID 3679395
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclohexanamine
CID 112590092
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448

Frequently Asked Questions

What is the IUPAC name of N-(3-octoxypropyl)cyclohexanamine?
The IUPAC name of N-(3-octoxypropyl)cyclohexanamine (CID 63506430) is N-(3-octoxypropyl)cyclohexanamine.
What is the SMILES notation for N-(3-octoxypropyl)cyclohexanamine?
The canonical SMILES for N-(3-octoxypropyl)cyclohexanamine is CCCCCCCCOCCCNC1CCCCC1.
What is the InChIKey of N-(3-octoxypropyl)cyclohexanamine?
The InChIKey is PNAIYUQKHILBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-2-3-4-5-6-10-15-19-16-11-14-18-17-12-8-7-9-13-17/h17-18H,2-16H2,1H3.
What are the key properties of N-(3-octoxypropyl)cyclohexanamine?
N-(3-octoxypropyl)cyclohexanamine has a molecular weight of 269.47 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-octoxypropyl)cyclohexanamine is sourced from PubChem (CID 63506430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).