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

C9H20N2O — CID 63760483

IUPAC1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)CC1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(10)5-11(2)6-9-3-4-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyOUFWXRBFOAVBCO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds4

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

1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine (PubChem CID 63760483) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
PubChem CID63760483
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)CC1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(10)5-11(2)6-9-3-4-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyOUFWXRBFOAVBCO-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
2-methyl-N-(oxolan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 21034317
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63706145
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine (CID 63760483) is 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine is CC(N)CN(C)CC1CCOC1.
What is the InChIKey of 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
The InChIKey is OUFWXRBFOAVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(10)5-11(2)6-9-3-4-12-7-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine?
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 63760483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).