N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H28N2O — CID 43191181

IUPACN-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCOC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(12(3)4)7-6-14-9-13-5-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyJUFHOTLPUKZDEB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43191181) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43191181
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCOC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(12(3)4)7-6-14-9-13-5-8-16-10-13/h11-14H,5-10H2,1-4H3
InChIKeyJUFHOTLPUKZDEB-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(Oxolan-3-yl)methyl]piperazine
CID 13742285
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
N'-cyclopropyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089876
N-(oxolan-3-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090261
N-(oxolan-3-ylmethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090315
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560473
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64568824
3,3,3-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 64568829
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64584011
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 65532102
1-(Oxolan-3-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101256

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43191181) is N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCC1CCOC1)C(C)C.
What is the InChIKey of N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is JUFHOTLPUKZDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(12(3)4)7-6-14-9-13-5-8-16-10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43191181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).