2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine

C17H32N2O — CID 102639995

IUPAC2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine
SMILESCN(C1CCOC2(CCCCC2)C1)C1CCCCC1N
InChIInChI=1S/C17H32N2O/c1-19(16-8-4-3-7-15(16)18)14-9-12-20-17(13-14)10-5-2-6-11-17/h14-16H,2-13,18H2,1H3
InChIKeyHPZOOGINGSGOKJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.07
Rot. Bonds2

About 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine

2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine (PubChem CID 102639995) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine
PubChem CID102639995
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine
SMILESCN(C1CCOC2(CCCCC2)C1)C1CCCCC1N
InChIInChI=1S/C17H32N2O/c1-19(16-8-4-3-7-15(16)18)14-9-12-20-17(13-14)10-5-2-6-11-17/h14-16H,2-13,18H2,1H3
InChIKeyHPZOOGINGSGOKJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
CID 43611076
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
methyl 2-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920105
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
2-N-methyl-2-N-(4-methylcyclohexyl)cyclooctane-1,2-diamine
CID 61436815
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
1-[[methyl(6-oxaspiro[4.5]decan-9-yl)amino]methyl]cyclopentan-1-ol
CID 114952577
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)propane-1,2-diamine
CID 79920608
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine (CID 102639995) is 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine is CN(C1CCOC2(CCCCC2)C1)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine?
The InChIKey is HPZOOGINGSGOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-19(16-8-4-3-7-15(16)18)14-9-12-20-17(13-14)10-5-2-6-11-17/h14-16H,2-13,18H2,1H3.
What are the key properties of 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine?
2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-oxaspiro[5.5]undecan-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102639995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).