2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine

C13H20N2 — CID 170283618

IUPAC2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
SMILESC/C=C(\Nc1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2/c1-5-12(13(2,3)4)15-11-9-7-6-8-10(11)14/h5-9,15H,14H2,1-4H3/b12-5-
InChIKeyXGTLLHKGJNSHDB-XGICHPGQSA-N
MW204.32 g/mol
LogP3.63
Rot. Bonds2

About 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine

2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine (PubChem CID 170283618) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
PubChem CID170283618
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
SMILESC/C=C(\Nc1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2/c1-5-12(13(2,3)4)15-11-9-7-6-8-10(11)14/h5-9,15H,14H2,1-4H3/b12-5-
InChIKeyXGTLLHKGJNSHDB-XGICHPGQSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
(Z)-N-(2-aminophenyl)-2-methylidenepent-3-enamide
CID 89369812
2-[bis(2-aminoanilino)methylidene]propanedinitrile
CID 102413326
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine (CID 170283618) is 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine is C/C=C(\Nc1ccccc1N)C(C)(C)C.
What is the InChIKey of 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine?
The InChIKey is XGTLLHKGJNSHDB-XGICHPGQSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-12(13(2,3)4)15-11-9-7-6-8-10(11)14/h5-9,15H,14H2,1-4H3/b12-5-.
What are the key properties of 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine?
2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine is sourced from PubChem (CID 170283618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).