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

C10H22N2O — CID 61436191

IUPACN,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCN(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-11-6-4-7-12(2)9-10-5-3-8-13-10/h10-11H,3-9H2,1-2H3
InChIKeyMXBVXJDFCVXAAJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds6

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

N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (PubChem CID 61436191) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
PubChem CID61436191
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCN(C)CC1CCCO1
InChIInChI=1S/C10H22N2O/c1-11-6-4-7-12(2)9-10-5-3-8-13-10/h10-11H,3-9H2,1-2H3
InChIKeyMXBVXJDFCVXAAJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-[3-[methyl-[[(2R)-oxan-2-yl]methyl]amino]propyl]methanesulfonamide
CID 97061252
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine (CID 61436191) is N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is CNCCCN(C)CC1CCCO1.
What is the InChIKey of N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is MXBVXJDFCVXAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11-6-4-7-12(2)9-10-5-3-8-13-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine?
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).