4-propan-2-yloxycyclohexane-1,3-diamine

C9H20N2O — CID 139764955

IUPAC4-propan-2-yloxycyclohexane-1,3-diamine
SMILESCC(C)OC1CCC(N)CC1N
InChIInChI=1S/C9H20N2O/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9H,3-5,10-11H2,1-2H3
InChIKeyFZGGRHRCSRKPBA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.62
Rot. Bonds2

About 4-propan-2-yloxycyclohexane-1,3-diamine

4-propan-2-yloxycyclohexane-1,3-diamine (PubChem CID 139764955) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-propan-2-yloxycyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-propan-2-yloxycyclohexane-1,3-diamine
PubChem CID139764955
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-propan-2-yloxycyclohexane-1,3-diamine
SMILESCC(C)OC1CCC(N)CC1N
InChIInChI=1S/C9H20N2O/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9H,3-5,10-11H2,1-2H3
InChIKeyFZGGRHRCSRKPBA-UHFFFAOYSA-N
XLogP0.62
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxycyclohexane-1,3-diamine?
The IUPAC name of 4-propan-2-yloxycyclohexane-1,3-diamine (CID 139764955) is 4-propan-2-yloxycyclohexane-1,3-diamine.
What is the SMILES notation for 4-propan-2-yloxycyclohexane-1,3-diamine?
The canonical SMILES for 4-propan-2-yloxycyclohexane-1,3-diamine is CC(C)OC1CCC(N)CC1N.
What is the InChIKey of 4-propan-2-yloxycyclohexane-1,3-diamine?
The InChIKey is FZGGRHRCSRKPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)12-9-4-3-7(10)5-8(9)11/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 4-propan-2-yloxycyclohexane-1,3-diamine?
4-propan-2-yloxycyclohexane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxycyclohexane-1,3-diamine is sourced from PubChem (CID 139764955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).