N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine

C12H25NO3 — CID 104530610

IUPACN-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
SMILESCOCC(CNC1CCC(OC)CC1)OC
InChIInChI=1S/C12H25NO3/c1-14-9-12(16-3)8-13-10-4-6-11(15-2)7-5-10/h10-13H,4-9H2,1-3H3
InChIKeyRXRBLZZWLUJSFW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds7

About N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine

N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine (PubChem CID 104530610) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
PubChem CID104530610
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
SMILESCOCC(CNC1CCC(OC)CC1)OC
InChIInChI=1S/C12H25NO3/c1-14-9-12(16-3)8-13-10-4-6-11(15-2)7-5-10/h10-13H,4-9H2,1-3H3
InChIKeyRXRBLZZWLUJSFW-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine (CID 104530610) is N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine is COCC(CNC1CCC(OC)CC1)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine?
The InChIKey is RXRBLZZWLUJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-9-12(16-3)8-13-10-4-6-11(15-2)7-5-10/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine?
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 104530610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).