2-octoxycyclohexan-1-amine

C14H29NO — CID 43127889

IUPAC2-octoxycyclohexan-1-amine
SMILESCCCCCCCCOC1CCCCC1N
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyMBOVNJPASVMGTE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds8

About 2-octoxycyclohexan-1-amine

2-octoxycyclohexan-1-amine (PubChem CID 43127889) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-octoxycyclohexan-1-amine.

Molecular Properties

Compound Name2-octoxycyclohexan-1-amine
PubChem CID43127889
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-octoxycyclohexan-1-amine
SMILESCCCCCCCCOC1CCCCC1N
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h13-14H,2-12,15H2,1H3
InChIKeyMBOVNJPASVMGTE-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
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

2-hexoxycyclododecan-1-amine
CID 43127854
2-butoxycyclohexan-1-amine
CID 43267617
2-heptoxy-4-methylcyclohexan-1-amine
CID 43127507
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
2-heptoxycyclohexan-1-ol
CID 18953012
1,2-dibutoxycyclohexane
CID 24962665
4-pentoxycyclohexane-1,3-diamine
CID 139764970
2-(2-propoxyethoxy)cycloheptan-1-amine
CID 63685616
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
2-(2-propylsulfonylethoxy)cyclohexan-1-amine
CID 106726998

Frequently Asked Questions

What is the IUPAC name of 2-octoxycyclohexan-1-amine?
The IUPAC name of 2-octoxycyclohexan-1-amine (CID 43127889) is 2-octoxycyclohexan-1-amine.
What is the SMILES notation for 2-octoxycyclohexan-1-amine?
The canonical SMILES for 2-octoxycyclohexan-1-amine is CCCCCCCCOC1CCCCC1N.
What is the InChIKey of 2-octoxycyclohexan-1-amine?
The InChIKey is MBOVNJPASVMGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-octoxycyclohexan-1-amine?
2-octoxycyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxycyclohexan-1-amine is sourced from PubChem (CID 43127889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).