1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine

C11H18N2 — CID 131190038

IUPAC1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1cccc(N(C)C)c1N
InChIInChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(11(9)12)13(3)4/h5-8H,12H2,1-4H3
InChIKeyPLGHTQZZBQNYJL-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.46
Rot. Bonds2

About 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine

1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine (PubChem CID 131190038) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
PubChem CID131190038
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
SMILESCC(C)c1cccc(N(C)C)c1N
InChIInChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(11(9)12)13(3)4/h5-8H,12H2,1-4H3
InChIKeyPLGHTQZZBQNYJL-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.46
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

2-methyl-6-propan-2-ylaniline
CID 162117439
2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
CID 166146948
2-chloro-6-propan-2-ylaniline
CID 18981698
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
CID 66917218
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
sodium;1-N,1-N-dimethyl-3-phenylbenzene-1,2-diamine;hydride
CID 174417250
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
CID 67343265
CID 67343265
2-(dibromomethyl)-N,N-dimethylaniline
CID 56618314
(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
CID 2327108

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine (CID 131190038) is 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine is CC(C)c1cccc(N(C)C)c1N.
What is the InChIKey of 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine?
The InChIKey is PLGHTQZZBQNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(11(9)12)13(3)4/h5-8H,12H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine?
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 131190038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).