N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H34N2O2 — CID 79901356

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOC2(CCOCC2)C1)C(C)C
InChIInChI=1S/C17H34N2O2/c1-14(2)19(15(3)4)9-8-18-16-5-10-21-17(13-16)6-11-20-12-7-17/h14-16,18H,5-13H2,1-4H3
InChIKeyYJTSONNMLYAVKX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.42
Rot. Bonds6

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 79901356) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID79901356
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOC2(CCOCC2)C1)C(C)C
InChIInChI=1S/C17H34N2O2/c1-14(2)19(15(3)4)9-8-18-16-5-10-21-17(13-16)6-11-20-12-7-17/h14-16,18H,5-13H2,1-4H3
InChIKeyYJTSONNMLYAVKX-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N'-cyclopentyl-N-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-methylethane-1,2-diamine
CID 79903270
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 79901356) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1CCOC2(CCOCC2)C1)C(C)C.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is YJTSONNMLYAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)19(15(3)4)9-8-18-16-5-10-21-17(13-16)6-11-20-12-7-17/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 298.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79901356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).