3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine

C13H23N3 — CID 105259182

IUPAC3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(CC(CCN(C)C)NN)c1
InChIInChI=1S/C13H23N3/c1-11-5-4-6-12(9-11)10-13(15-14)7-8-16(2)3/h4-6,9,13,15H,7-8,10,14H2,1-3H3
InChIKeyKQEQEFWIVQHIKP-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.32
Rot. Bonds6

About 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine

3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine (PubChem CID 105259182) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
PubChem CID105259182
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
SMILESCc1cccc(CC(CCN(C)C)NN)c1
InChIInChI=1S/C13H23N3/c1-11-5-4-6-12(9-11)10-13(15-14)7-8-16(2)3/h4-6,9,13,15H,7-8,10,14H2,1-3H3
InChIKeyKQEQEFWIVQHIKP-UHFFFAOYSA-N
XLogP1.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-dimethylphenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105208894
[5,5-dimethyl-1-(3-methylphenyl)hexan-2-yl]hydrazine
CID 105208965
1-(3-methylphenyl)undecan-2-ylhydrazine
CID 105208921
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
4-(2-chloro-4-methylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 106871466
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105413124
4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525
4-[2-hydrazinyl-3-(3-methylphenyl)propyl]pyridin-2-amine
CID 105208933
[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine (CID 105259182) is 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine is Cc1cccc(CC(CCN(C)C)NN)c1.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine?
The InChIKey is KQEQEFWIVQHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-5-4-6-12(9-11)10-13(15-14)7-8-16(2)3/h4-6,9,13,15H,7-8,10,14H2,1-3H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine?
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 105259182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).