methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine

C14H26N2 — CID 144540155

IUPACmethane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
SMILESC.CCCN(CCC)c1ccc(C)cc1N
InChIInChI=1S/C13H22N2.CH4/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H4
InChIKeyXHPNYUJHINOMOA-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.84
Rot. Bonds5

About methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine

methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine (PubChem CID 144540155) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine.

Molecular Properties

Compound Namemethane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
PubChem CID144540155
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Namemethane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
SMILESC.CCCN(CCC)c1ccc(C)cc1N
InChIInChI=1S/C13H22N2.CH4/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H4
InChIKeyXHPNYUJHINOMOA-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
2,5-dimethyl-N,N-dipropylaniline
CID 13113808
4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
CID 56831517
2-(dipropylamino)-5-methylbenzonitrile
CID 107926828
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
butane;4-methylbenzene-1,2-diamine
CID 138693326
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine?
The IUPAC name of methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine (CID 144540155) is methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine.
What is the SMILES notation for methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine?
The canonical SMILES for methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine is C.CCCN(CCC)c1ccc(C)cc1N.
What is the InChIKey of methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine?
The InChIKey is XHPNYUJHINOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CH4/c1-4-8-15(9-5-2)13-7-6-11(3)10-12(13)14;/h6-7,10H,4-5,8-9,14H2,1-3H3;1H4.
What are the key properties of methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine?
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine has a molecular weight of 222.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine is sourced from PubChem (CID 144540155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).