3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine

C10H22N2O — CID 61431543

IUPAC3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-8(11)9(2)12(3)7-10-5-4-6-13-10/h8-10H,4-7,11H2,1-3H3
InChIKeyYBNOQYAZNRBGBY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds4

About 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine

3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine (PubChem CID 61431543) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
PubChem CID61431543
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-8(11)9(2)12(3)7-10-5-4-6-13-10/h8-10H,4-7,11H2,1-3H3
InChIKeyYBNOQYAZNRBGBY-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine (CID 61431543) is 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine is CC(N)C(C)N(C)CC1CCCO1.
What is the InChIKey of 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine?
The InChIKey is YBNOQYAZNRBGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(11)9(2)12(3)7-10-5-4-6-13-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine?
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine is sourced from PubChem (CID 61431543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).