ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine

C15H28N2 — CID 145462378

IUPACethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine
SMILESCC.CCCc1ccc(N)cc1N(C)CCC
InChIInChI=1S/C13H22N2.C2H6/c1-4-6-11-7-8-12(14)10-13(11)15(3)9-5-2;1-2/h7-8,10H,4-6,9,14H2,1-3H3;1-2H3
InChIKeyQMWZTCOOSOKDIG-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.09
Rot. Bonds5

About ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine

ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine (PubChem CID 145462378) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine.

Molecular Properties

Compound Nameethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine
PubChem CID145462378
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Nameethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine
SMILESCC.CCCc1ccc(N)cc1N(C)CCC
InChIInChI=1S/C13H22N2.C2H6/c1-4-6-11-7-8-12(14)10-13(11)15(3)9-5-2;1-2/h7-8,10H,4-6,9,14H2,1-3H3;1-2H3
InChIKeyQMWZTCOOSOKDIG-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.09
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-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 142817862
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
3-nitroso-4-propylaniline
CID 88588060
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
2-N-methyl-2-N-[(E)-4-[methyl(propyl)amino]but-2-enyl]benzene-1,2,4-triamine
CID 18737039
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
2-chloro-1-N-[2-(diethylamino)ethyl]-1-N-methylbenzene-1,4-diamine
CID 59691638
3-(fluoromethoxy)-4-propylaniline
CID 121291374
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
3-methyl-4-octylaniline
CID 139523093
4-[[4-[19-[4-[(4-amino-2-propylphenyl)methyl]phenyl]nonadecyl]phenyl]methyl]-3-propylaniline
CID 22919315

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine?
The IUPAC name of ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine (CID 145462378) is ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine.
What is the SMILES notation for ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine?
The canonical SMILES for ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine is CC.CCCc1ccc(N)cc1N(C)CCC.
What is the InChIKey of ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine?
The InChIKey is QMWZTCOOSOKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-4-6-11-7-8-12(14)10-13(11)15(3)9-5-2;1-2/h7-8,10H,4-6,9,14H2,1-3H3;1-2H3.
What are the key properties of ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine?
ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine has a molecular weight of 236.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-methyl-3-N,4-dipropylbenzene-1,3-diamine is sourced from PubChem (CID 145462378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).