N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

C9H20N2O — CID 104856030

IUPACN,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)C[C@@H]1CCCO1
InChIInChI=1S/C9H20N2O/c1-10-5-6-11(2)8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyXXDNSRYGCFLVKT-VIFPVBQESA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 104856030) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID104856030
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)C[C@@H]1CCCO1
InChIInChI=1S/C9H20N2O/c1-10-5-6-11(2)8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyXXDNSRYGCFLVKT-VIFPVBQESA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-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

N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N'-methyl-N-(2-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62554913
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (CID 104856030) is N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is CNCCN(C)C[C@@H]1CCCO1.
What is the InChIKey of N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is XXDNSRYGCFLVKT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-5-6-11(2)8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 104856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).