2-(4-propoxycyclohexyl)propan-2-amine

C12H25NO — CID 172523770

IUPAC2-(4-propoxycyclohexyl)propan-2-amine
SMILESCCCOC1CCC(C(C)(C)N)CC1
InChIInChI=1S/C12H25NO/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyGBYFJDLSFXDLRR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-propoxycyclohexyl)propan-2-amine

2-(4-propoxycyclohexyl)propan-2-amine (PubChem CID 172523770) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(4-propoxycyclohexyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-propoxycyclohexyl)propan-2-amine
PubChem CID172523770
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(4-propoxycyclohexyl)propan-2-amine
SMILESCCCOC1CCC(C(C)(C)N)CC1
InChIInChI=1S/C12H25NO/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)13/h10-11H,4-9,13H2,1-3H3
InChIKeyGBYFJDLSFXDLRR-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxycyclohexyl)propan-2-amine?
The IUPAC name of 2-(4-propoxycyclohexyl)propan-2-amine (CID 172523770) is 2-(4-propoxycyclohexyl)propan-2-amine.
What is the SMILES notation for 2-(4-propoxycyclohexyl)propan-2-amine?
The canonical SMILES for 2-(4-propoxycyclohexyl)propan-2-amine is CCCOC1CCC(C(C)(C)N)CC1.
What is the InChIKey of 2-(4-propoxycyclohexyl)propan-2-amine?
The InChIKey is GBYFJDLSFXDLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-9-14-11-7-5-10(6-8-11)12(2,3)13/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-(4-propoxycyclohexyl)propan-2-amine?
2-(4-propoxycyclohexyl)propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxycyclohexyl)propan-2-amine is sourced from PubChem (CID 172523770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).