1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine

C12H20N2 — CID 142930893

IUPAC1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
SMILESCCN(CC)c1ccc(C)c(NC)c1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)11-8-7-10(3)12(9-11)13-4/h7-9,13H,5-6H2,1-4H3
InChIKeyFRBAXMJYZFWZLY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.88
Rot. Bonds4

About 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine

1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine (PubChem CID 142930893) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
PubChem CID142930893
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
SMILESCCN(CC)c1ccc(C)c(NC)c1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)11-8-7-10(3)12(9-11)13-4/h7-9,13H,5-6H2,1-4H3
InChIKeyFRBAXMJYZFWZLY-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(diethylamino)-2-methylphenyl]-2,2-difluoroethanesulfonamide
CID 147931901
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
N-[5-(diethylamino)-2-methylphenyl]-2-ethylhexanamide
CID 146667862
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109031413
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N-[5-(diethylamino)-2-methylphenyl]acetamide;5-methoxybenzene-1,3-dicarboxylic acid
CID 158377608
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
1-N-ethyl-3-N-fluoro-4-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 57108655
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine (CID 142930893) is 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine is CCN(CC)c1ccc(C)c(NC)c1.
What is the InChIKey of 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is FRBAXMJYZFWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-14(6-2)11-8-7-10(3)12(9-11)13-4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine?
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 142930893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).