1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine

C16H32N2O — CID 55106006

IUPAC1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-12(2)13-7-8-15(17-3)16(10-13)18(4)11-14-6-5-9-19-14/h12-17H,5-11H2,1-4H3
InChIKeyLRNBFICOAFNHRI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine

1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 55106006) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID55106006
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)CC1CCCO1
InChIInChI=1S/C16H32N2O/c1-12(2)13-7-8-15(17-3)16(10-13)18(4)11-14-6-5-9-19-14/h12-17H,5-11H2,1-4H3
InChIKeyLRNBFICOAFNHRI-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62708323
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708399
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
2-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-N-(2-methylpropyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708407
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine (CID 55106006) is 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(C)CC1CCCO1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is LRNBFICOAFNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)13-7-8-15(17-3)16(10-13)18(4)11-14-6-5-9-19-14/h12-17H,5-11H2,1-4H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 55106006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).