(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine

C10H22N2O — CID 103934675

IUPAC(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](N)CN(C)CC1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11)7-12(2)8-10-3-5-13-6-4-10/h9-10H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyLPKFGJCFKYQQTD-VIFPVBQESA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds4

About (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine

(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine (PubChem CID 103934675) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
PubChem CID103934675
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
SMILESC[C@H](N)CN(C)CC1CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(11)7-12(2)8-10-3-5-13-6-4-10/h9-10H,3-8,11H2,1-2H3/t9-/m0/s1
InChIKeyLPKFGJCFKYQQTD-VIFPVBQESA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
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
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butan-1-ol
CID 115252169
3-methyl-2-[[methyl(oxan-4-ylmethyl)amino]methyl]butanenitrile
CID 115254595
3-methoxy-1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 114228516
methyl 2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanoate
CID 62386645
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041
1-cyclopentyl-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 104752909

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine (CID 103934675) is (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine is C[C@H](N)CN(C)CC1CCOCC1.
What is the InChIKey of (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine?
The InChIKey is LPKFGJCFKYQQTD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(11)7-12(2)8-10-3-5-13-6-4-10/h9-10H,3-8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine?
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103934675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).