3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine

C12H26N2O — CID 64775509

IUPAC3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)C1CCC(C)CC1
InChIInChI=1S/C12H26N2O/c1-10-4-6-12(7-5-10)14(2)8-11(13)9-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyKMPIOVZLUGYMMG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine

3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine (PubChem CID 64775509) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
PubChem CID64775509
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
SMILESCOCC(N)CN(C)C1CCC(C)CC1
InChIInChI=1S/C12H26N2O/c1-10-4-6-12(7-5-10)14(2)8-11(13)9-15-3/h10-12H,4-9,13H2,1-3H3
InChIKeyKMPIOVZLUGYMMG-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N-methyl-1-N-(oxan-4-yl)propane-1,2-diamine
CID 63937893
1-N-cyclopropyl-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 81101039
N-[2-[methoxymethyl-(4-methylcyclohexyl)amino]ethoxymethyl]-N,4-dimethylcyclohexan-1-amine
CID 130207479
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623
N'-methyl-N'-(4-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65232760
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 103140103
1-N-cyclopropyl-5-methoxy-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 81101876
N-(2-amino-3-methoxypropyl)-N-methylcyclopropanecarboxamide
CID 63753647
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
CID 55091669

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine (CID 64775509) is 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine is COCC(N)CN(C)C1CCC(C)CC1.
What is the InChIKey of 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
The InChIKey is KMPIOVZLUGYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-4-6-12(7-5-10)14(2)8-11(13)9-15-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine?
3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 64775509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).