(4-propoxycyclohexyl)methanamine

C10H21NO — CID 135185614

IUPAC(4-propoxycyclohexyl)methanamine
SMILESCCCOC1CCC(CN)CC1
InChIInChI=1S/C10H21NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyMZANGCSGJWREOY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About (4-propoxycyclohexyl)methanamine

(4-propoxycyclohexyl)methanamine (PubChem CID 135185614) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4-propoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4-propoxycyclohexyl)methanamine
PubChem CID135185614
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4-propoxycyclohexyl)methanamine
SMILESCCCOC1CCC(CN)CC1
InChIInChI=1S/C10H21NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyMZANGCSGJWREOY-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propoxycyclohexyl)methanamine?
The IUPAC name of (4-propoxycyclohexyl)methanamine (CID 135185614) is (4-propoxycyclohexyl)methanamine.
What is the SMILES notation for (4-propoxycyclohexyl)methanamine?
The canonical SMILES for (4-propoxycyclohexyl)methanamine is CCCOC1CCC(CN)CC1.
What is the InChIKey of (4-propoxycyclohexyl)methanamine?
The InChIKey is MZANGCSGJWREOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of (4-propoxycyclohexyl)methanamine?
(4-propoxycyclohexyl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxycyclohexyl)methanamine is sourced from PubChem (CID 135185614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).