N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine

C16H31NO2 — CID 43770852

IUPACN-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCCOC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-18-16-11-6-5-10-15(16)17-12-7-13-19-14-8-3-2-4-9-14/h14-17H,2-13H2,1H3
InChIKeySKWUUOWEACCLKQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine

N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine (PubChem CID 43770852) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
PubChem CID43770852
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCCOC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-18-16-11-6-5-10-15(16)17-12-7-13-19-14-8-3-2-4-9-14/h14-17H,2-13H2,1H3
InChIKeySKWUUOWEACCLKQ-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
CID 64776416
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 113289548
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293
(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 124568299
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
N-(3-cyclohexyloxypropyl)-3-methylcyclopentan-1-amine
CID 64501250
2-octoxy-N-propylcyclooctan-1-amine
CID 63476166
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine (CID 43770852) is N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine is COC1CCCCC1NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine?
The InChIKey is SKWUUOWEACCLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-18-16-11-6-5-10-15(16)17-12-7-13-19-14-8-3-2-4-9-14/h14-17H,2-13H2,1H3.
What are the key properties of N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine?
N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43770852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).