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

C10H22N2O — CID 61431602

IUPACN',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h9-10H,3-8,11H2,1-2H3
InChIKeyYSVFCIQFXHFDJK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

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

N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (PubChem CID 61431602) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
PubChem CID61431602
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h9-10H,3-8,11H2,1-2H3
InChIKeyYSVFCIQFXHFDJK-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
N,2-dimethyl-N-(oxan-2-ylmethyl)pentane-1,5-diamine
CID 104681987
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61435818
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (CID 61431602) is N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is CC(CN)CN(C)CC1CCCO1.
What is the InChIKey of N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is YSVFCIQFXHFDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61431602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).