1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C12H17N3 — CID 106759555

IUPAC1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NCCC1
InChIInChI=1S/C12H17N3/c1-15(2)11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyOYSOBPPYDNUIQQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.36
Rot. Bonds2

About 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106759555) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106759555
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NCCC1
InChIInChI=1S/C12H17N3/c1-15(2)11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyOYSOBPPYDNUIQQ-UHFFFAOYSA-N
XLogP2.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 102905003
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760299
N-naphthalen-1-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 78909075
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine
CID 159564290
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 107634340
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 112724141
N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2443140
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760540
2-N,2-N-dimethyl-1-N-[4-(pyridin-4-ylmethyl)phenyl]benzene-1,2-diamine
CID 110452966

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106759555) is 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1=NCCC1.
What is the InChIKey of 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is OYSOBPPYDNUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15(2)11-7-4-3-6-10(11)14-12-8-5-9-13-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 203.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-pyrrol-5-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106759555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).