4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine

C14H22N2O — CID 65162618

IUPAC4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
SMILESCN(CCCC1CCCO1)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-16(13-8-6-12(15)7-9-13)10-2-4-14-5-3-11-17-14/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyQMPXHAYXGIIMKR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds5

About 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine

4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine (PubChem CID 65162618) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
PubChem CID65162618
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
SMILESCN(CCCC1CCCO1)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-16(13-8-6-12(15)7-9-13)10-2-4-14-5-3-11-17-14/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyQMPXHAYXGIIMKR-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152624
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
4-[4-(dimethylamino)phenyl]-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-2-amine
CID 162626614
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
4-N-[3-[1-(4-aminophenyl)piperidin-4-yl]propyl]-4-N-methylbenzene-1,4-diamine;ethane
CID 144968745
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
3-methyl-4-[3-(oxolan-2-yl)propylsulfinyl]aniline
CID 81191890

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine (CID 65162618) is 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine is CN(CCCC1CCCO1)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine?
The InChIKey is QMPXHAYXGIIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(13-8-6-12(15)7-9-13)10-2-4-14-5-3-11-17-14/h6-9,14H,2-5,10-11,15H2,1H3.
What are the key properties of 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine?
4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine is sourced from PubChem (CID 65162618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).