2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

C17H34N2O — CID 61431444

IUPAC2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C17H34N2O/c1-5-17(2,3)13-8-9-15(18)16(11-13)19(4)12-14-7-6-10-20-14/h13-16H,5-12,18H2,1-4H3
InChIKeyVYPMKCMTMRSKCH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds5

About 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 61431444) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID61431444
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCCC(C)(C)C1CCC(N)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C17H34N2O/c1-5-17(2,3)13-8-9-15(18)16(11-13)19(4)12-14-7-6-10-20-14/h13-16H,5-12,18H2,1-4H3
InChIKeyVYPMKCMTMRSKCH-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275857
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (CID 61431444) is 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is CCC(C)(C)C1CCC(N)C(N(C)CC2CCCO2)C1.
What is the InChIKey of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is VYPMKCMTMRSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-17(2,3)13-8-9-15(18)16(11-13)19(4)12-14-7-6-10-20-14/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 61431444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).