2-butoxycyclohexan-1-amine

C10H21NO — CID 43267617

IUPAC2-butoxycyclohexan-1-amine
SMILESCCCCOC1CCCCC1N
InChIInChI=1S/C10H21NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h9-10H,2-8,11H2,1H3
InChIKeyUPTLOSIKVIBVNR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds4

About 2-butoxycyclohexan-1-amine

2-butoxycyclohexan-1-amine (PubChem CID 43267617) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-butoxycyclohexan-1-amine.

Molecular Properties

Compound Name2-butoxycyclohexan-1-amine
PubChem CID43267617
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-butoxycyclohexan-1-amine
SMILESCCCCOC1CCCCC1N
InChIInChI=1S/C10H21NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h9-10H,2-8,11H2,1H3
InChIKeyUPTLOSIKVIBVNR-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
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-octoxycyclohexan-1-amine
CID 43127889
2-hexoxycyclododecan-1-amine
CID 43127854
1,2-dibutoxycyclohexane
CID 24962665
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
2-(2-propoxyethoxy)cycloheptan-1-amine
CID 63685616
2-(2-ethoxyethoxy)cyclohexan-1-amine
CID 43183919
2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
2-(2-propylsulfonylethoxy)cyclohexan-1-amine
CID 106726998
2-(2-ethylhexoxy)cyclohexan-1-amine
CID 43127678
2-ethoxycyclopentan-1-amine
CID 16792821
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
2-(3-methylbut-3-enoxy)cycloheptan-1-amine
CID 114473078

Frequently Asked Questions

What is the IUPAC name of 2-butoxycyclohexan-1-amine?
The IUPAC name of 2-butoxycyclohexan-1-amine (CID 43267617) is 2-butoxycyclohexan-1-amine.
What is the SMILES notation for 2-butoxycyclohexan-1-amine?
The canonical SMILES for 2-butoxycyclohexan-1-amine is CCCCOC1CCCCC1N.
What is the InChIKey of 2-butoxycyclohexan-1-amine?
The InChIKey is UPTLOSIKVIBVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-butoxycyclohexan-1-amine?
2-butoxycyclohexan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxycyclohexan-1-amine is sourced from PubChem (CID 43267617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).