N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine

C10H22N2O — CID 82740013

IUPACN,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(3-5-11)7-12(2)10-4-6-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyJYFPCUPQCMFRCL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

About N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine

N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine (PubChem CID 82740013) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
PubChem CID82740013
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-9(3-5-11)7-12(2)10-4-6-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyJYFPCUPQCMFRCL-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
N-cycloheptyl-N,2-dimethylbutane-1,4-diamine
CID 80544341
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
6-amino-N,4-dimethyl-N-(oxolan-3-yl)hexanamide
CID 82738778
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
1-[methyl(oxolan-3-yl)amino]pentan-2-ol
CID 82748731
2-methyl-3-[methyl(oxolan-3-yl)amino]propanehydrazide
CID 82754042
2-methyl-3-[methyl(oxolan-3-yl)amino]propanimidamide
CID 63558755
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740
N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 63556391

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine (CID 82740013) is N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine is CC(CCN)CN(C)C1CCOC1.
What is the InChIKey of N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine?
The InChIKey is JYFPCUPQCMFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(3-5-11)7-12(2)10-4-6-13-8-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine?
N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine is sourced from PubChem (CID 82740013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).