1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine

C17H34N2O2 — CID 137411601

IUPAC1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
SMILESCC(C)(OCC1(N)CCCCC1)OCC1(N)CCCCC1
InChIInChI=1S/C17H34N2O2/c1-15(2,20-13-16(18)9-5-3-6-10-16)21-14-17(19)11-7-4-8-12-17/h3-14,18-19H2,1-2H3
InChIKeyAOKOITMQIBFGAW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine

1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine (PubChem CID 137411601) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
PubChem CID137411601
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
SMILESCC(C)(OCC1(N)CCCCC1)OCC1(N)CCCCC1
InChIInChI=1S/C17H34N2O2/c1-15(2,20-13-16(18)9-5-3-6-10-16)21-14-17(19)11-7-4-8-12-17/h3-14,18-19H2,1-2H3
InChIKeyAOKOITMQIBFGAW-UHFFFAOYSA-N
XLogP3.08
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine (CID 137411601) is 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine is CC(C)(OCC1(N)CCCCC1)OCC1(N)CCCCC1.
What is the InChIKey of 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine?
The InChIKey is AOKOITMQIBFGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2,20-13-16(18)9-5-3-6-10-16)21-14-17(19)11-7-4-8-12-17/h3-14,18-19H2,1-2H3.
What are the key properties of 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine?
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 137411601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).