1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine

C12H26N2O — CID 103110064

IUPAC1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCOC1C
InChIInChI=1S/C12H26N2O/c1-5-14(4)9-10(2)13-8-12-6-7-15-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyYWOIWMFNZJHGRS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine (PubChem CID 103110064) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
PubChem CID103110064
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCOC1C
InChIInChI=1S/C12H26N2O/c1-5-14(4)9-10(2)13-8-12-6-7-15-11(12)3/h10-13H,5-9H2,1-4H3
InChIKeyYWOIWMFNZJHGRS-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
N-butyl-2-[(2-methyloxolan-3-yl)methylamino]propanamide
CID 114105488
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109683
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
2-N-cyclobutyl-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 162433751
N-[(2-methyloxolan-3-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 114104935
2-methyl-N-[(2-methyloxolan-3-yl)methyl]cyclobutan-1-amine
CID 130554494
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine (CID 103110064) is 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine is CCN(C)CC(C)NCC1CCOC1C.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
The InChIKey is YWOIWMFNZJHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(4)9-10(2)13-8-12-6-7-15-11(12)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103110064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).