N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine

C14H24N2 — CID 58662077

IUPACN,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-5-10-16(12-11-15(3)4)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyZCKIOPXIUIRCRY-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.77
Rot. Bonds6

About N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine

N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine (PubChem CID 58662077) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
PubChem CID58662077
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-5-10-16(12-11-15(3)4)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyZCKIOPXIUIRCRY-UHFFFAOYSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-N,N-dipropylaniline
CID 143993396
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
N,4-dimethyl-N-propylaniline
CID 14671247
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N,N-diheptyl-4-methylaniline
CID 20558578
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-bromo-N,N-dipropylaniline
CID 10445113
4-[4,4-bis(4-methylphenyl)-1-phenylbuta-1,3-dienyl]-N,N-dipropylaniline
CID 54020177

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine (CID 58662077) is N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccc(C)cc1.
What is the InChIKey of N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine?
The InChIKey is ZCKIOPXIUIRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-10-16(12-11-15(3)4)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 58662077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).