3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine

C10H12N2 — CID 130948301

IUPAC3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine
SMILESC#CCN(C)c1cccc(N)c1
InChIInChI=1S/C10H12N2/c1-3-7-12(2)10-6-4-5-9(11)8-10/h1,4-6,8H,7,11H2,2H3
InChIKeyNENJRDLCKDVESQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.34
Rot. Bonds2

About 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine

3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine (PubChem CID 130948301) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine
PubChem CID130948301
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine
SMILESC#CCN(C)c1cccc(N)c1
InChIInChI=1S/C10H12N2/c1-3-7-12(2)10-6-4-5-9(11)8-10/h1,4-6,8H,7,11H2,2H3
InChIKeyNENJRDLCKDVESQ-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[methyl(prop-2-ynyl)amino]benzonitrile
CID 130935351
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054
3-N-methyl-3-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117040974
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
4-chloro-N-methyl-N-prop-2-ynylaniline
CID 86098080
3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
CID 130949216
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-[2-(2,4-dimethylphenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041004
3-N-[(5-bromothiophen-2-yl)methyl]-3-N-methylbenzene-1,3-diamine
CID 61295641
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine (CID 130948301) is 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine is C#CCN(C)c1cccc(N)c1.
What is the InChIKey of 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine?
The InChIKey is NENJRDLCKDVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-7-12(2)10-6-4-5-9(11)8-10/h1,4-6,8H,7,11H2,2H3.
What are the key properties of 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine?
3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine has a molecular weight of 160.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine is sourced from PubChem (CID 130948301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).