2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine

C10H22N2O — CID 61044037

IUPAC2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCOC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-9(12(2)3)6-11-7-10-4-5-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyNIGJAMIPLOCWCP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine (PubChem CID 61044037) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
PubChem CID61044037
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCOC1)N(C)C
InChIInChI=1S/C10H22N2O/c1-9(12(2)3)6-11-7-10-4-5-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyNIGJAMIPLOCWCP-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine (CID 61044037) is 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine is CC(CNCC1CCOC1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The InChIKey is NIGJAMIPLOCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(12(2)3)6-11-7-10-4-5-13-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 61044037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).