(1-propoxycyclohexyl)methanamine

C10H21NO — CID 62108003

IUPAC(1-propoxycyclohexyl)methanamine
SMILESCCCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-8-12-10(9-11)6-4-3-5-7-10/h2-9,11H2,1H3
InChIKeyFKUABSUPNUSVKL-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds4

About (1-propoxycyclohexyl)methanamine

(1-propoxycyclohexyl)methanamine (PubChem CID 62108003) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-propoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(1-propoxycyclohexyl)methanamine
PubChem CID62108003
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-propoxycyclohexyl)methanamine
SMILESCCCOC1(CN)CCCCC1
InChIInChI=1S/C10H21NO/c1-2-8-12-10(9-11)6-4-3-5-7-10/h2-9,11H2,1H3
InChIKeyFKUABSUPNUSVKL-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

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Frequently Asked Questions

What is the IUPAC name of (1-propoxycyclohexyl)methanamine?
The IUPAC name of (1-propoxycyclohexyl)methanamine (CID 62108003) is (1-propoxycyclohexyl)methanamine.
What is the SMILES notation for (1-propoxycyclohexyl)methanamine?
The canonical SMILES for (1-propoxycyclohexyl)methanamine is CCCOC1(CN)CCCCC1.
What is the InChIKey of (1-propoxycyclohexyl)methanamine?
The InChIKey is FKUABSUPNUSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-8-12-10(9-11)6-4-3-5-7-10/h2-9,11H2,1H3.
What are the key properties of (1-propoxycyclohexyl)methanamine?
(1-propoxycyclohexyl)methanamine 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 (1-propoxycyclohexyl)methanamine is sourced from PubChem (CID 62108003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).