N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H30N2O — CID 62554913

IUPACN'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CC1CCCO1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13)16-9-10-17(2)12-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyGEYXNTFHYGYYRF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62554913) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62554913
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CC1CCCO1
InChIInChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13)16-9-10-17(2)12-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3
InChIKeyGEYXNTFHYGYYRF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclohexan-1-amine
CID 43182518
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
2-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]cyclohexan-1-amine
CID 106513603
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62554913) is N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CC1CCCCC1NCCN(C)CC1CCCO1.
What is the InChIKey of N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GEYXNTFHYGYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-6-3-4-8-15(13)16-9-10-17(2)12-14-7-5-11-18-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).