N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C18H36N2O — CID 79901598

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOC2(CCCCC2)C1)C(C)C
InChIInChI=1S/C18H36N2O/c1-15(2)20(16(3)4)12-11-19-17-8-13-21-18(14-17)9-6-5-7-10-18/h15-17,19H,5-14H2,1-4H3
InChIKeyDOMXFNSBOLMPLB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds6

About N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 79901598) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID79901598
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOC2(CCCCC2)C1)C(C)C
InChIInChI=1S/C18H36N2O/c1-15(2)20(16(3)4)12-11-19-17-8-13-21-18(14-17)9-6-5-7-10-18/h15-17,19H,5-14H2,1-4H3
InChIKeyDOMXFNSBOLMPLB-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
CID 106336440
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 79901598) is N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1CCOC2(CCCCC2)C1)C(C)C.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is DOMXFNSBOLMPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(2)20(16(3)4)12-11-19-17-8-13-21-18(14-17)9-6-5-7-10-18/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).