1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine

C16H32N2O — CID 79895591

IUPAC1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15(12-18(3)4)17-14-6-9-19-16(11-14)7-5-8-16/h13-15,17H,5-12H2,1-4H3
InChIKeyLRAPWPPHMWKRGT-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds6

About 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine (PubChem CID 79895591) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine
PubChem CID79895591
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NC1CCOC2(CCC2)C1
InChIInChI=1S/C16H32N2O/c1-13(2)10-15(12-18(3)4)17-14-6-9-19-16(11-14)7-5-8-16/h13-15,17H,5-12H2,1-4H3
InChIKeyLRAPWPPHMWKRGT-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine with MolForge

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904199
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N,N-dimethyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)propanamide
CID 79894932
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine (CID 79895591) is 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NC1CCOC2(CCC2)C1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine?
The InChIKey is LRAPWPPHMWKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)10-15(12-18(3)4)17-14-6-9-19-16(11-14)7-5-8-16/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine is sourced from PubChem (CID 79895591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).