(2-butoxycyclohexyl)methanamine

C11H23NO — CID 43294252

IUPAC(2-butoxycyclohexyl)methanamine
SMILESCCCCOC1CCCCC1CN
InChIInChI=1S/C11H23NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h10-11H,2-9,12H2,1H3
InChIKeyXFKUSKDVXYGCRU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds5

About (2-butoxycyclohexyl)methanamine

(2-butoxycyclohexyl)methanamine (PubChem CID 43294252) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2-butoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(2-butoxycyclohexyl)methanamine
PubChem CID43294252
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2-butoxycyclohexyl)methanamine
SMILESCCCCOC1CCCCC1CN
InChIInChI=1S/C11H23NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h10-11H,2-9,12H2,1H3
InChIKeyXFKUSKDVXYGCRU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of (2-butoxycyclohexyl)methanamine?
The IUPAC name of (2-butoxycyclohexyl)methanamine (CID 43294252) is (2-butoxycyclohexyl)methanamine.
What is the SMILES notation for (2-butoxycyclohexyl)methanamine?
The canonical SMILES for (2-butoxycyclohexyl)methanamine is CCCCOC1CCCCC1CN.
What is the InChIKey of (2-butoxycyclohexyl)methanamine?
The InChIKey is XFKUSKDVXYGCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h10-11H,2-9,12H2,1H3.
What are the key properties of (2-butoxycyclohexyl)methanamine?
(2-butoxycyclohexyl)methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxycyclohexyl)methanamine is sourced from PubChem (CID 43294252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).