(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine

C15H25N3 — CID 142801251

IUPAC(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine
SMILESCNN(/C(N)=C\CC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(17-5)14(16)10-11-15(2,3)4/h6-10,17H,11,16H2,1-5H3/b14-10-
InChIKeyCECICWQLPLCTRS-UVTDQMKNSA-N
MW247.39 g/mol
LogP3.17
Rot. Bonds4

About (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine

(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine (PubChem CID 142801251) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine
PubChem CID142801251
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine
SMILESCNN(/C(N)=C\CC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(17-5)14(16)10-11-15(2,3)4/h6-10,17H,11,16H2,1-5H3/b14-10-
InChIKeyCECICWQLPLCTRS-UVTDQMKNSA-N
XLogP3.17
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-N',2-N-dimethyl-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
CID 143211446
N-methylmethanamine;1,4-xylene
CID 66760370
3-[N-(3,3-dimethylbutyl)-4-methylanilino]propanoic acid
CID 54925474
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
ethyl 2-(N-acetamido-4-methylanilino)-2-oxoacetate
CID 3142791
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
3-amino-N,2,2-trimethyl-N-(4-methylphenyl)propanamide;hydrochloride
CID 119706053
1-tert-butyl-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110912100
(Z)-N',N'-dimethyl-1-(4-methylphenyl)ethene-1,2-diamine
CID 149258743
5-(N,4-dimethylanilino)-2-methyl-2-(methylamino)pentan-1-ol
CID 64791309
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine?
The IUPAC name of (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine (CID 142801251) is (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine.
What is the SMILES notation for (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine?
The canonical SMILES for (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine is CNN(/C(N)=C\CC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine?
The InChIKey is CECICWQLPLCTRS-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-6-8-13(9-7-12)18(17-5)14(16)10-11-15(2,3)4/h6-10,17H,11,16H2,1-5H3/b14-10-.
What are the key properties of (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine?
(Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-1-[4-methyl-N-(methylamino)anilino]pent-1-en-1-amine is sourced from PubChem (CID 142801251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).