1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine

C12H26N2O — CID 61477177

IUPAC1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC1CCOC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(8-14(3)4)13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyUSNMGTYNQQLESX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.20
Rot. Bonds6

About 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine (PubChem CID 61477177) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
PubChem CID61477177
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN(C)C)NCC1CCOC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(8-14(3)4)13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyUSNMGTYNQQLESX-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
1-N,1-N,4-trimethyl-2-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43751776
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 61313229
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
CID 113260390
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
1-(1-adamantyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191196

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine (CID 61477177) is 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine is CC(C)C(CN(C)C)NCC1CCOC1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The InChIKey is USNMGTYNQQLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(8-14(3)4)13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(oxolan-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).