1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine

C13H25N3 — CID 175195362

IUPAC1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCN(C)NC(N)CCCC1(C)C=CC=CC1
InChIInChI=1S/C13H25N3/c1-13(9-5-4-6-10-13)11-7-8-12(14)15-16(2)3/h4-6,9,12,15H,7-8,10-11,14H2,1-3H3
InChIKeyZJLHDRLANLBABN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.03
Rot. Bonds6

About 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine

1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine (PubChem CID 175195362) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine
PubChem CID175195362
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine
SMILESCN(C)NC(N)CCCC1(C)C=CC=CC1
InChIInChI=1S/C13H25N3/c1-13(9-5-4-6-10-13)11-7-8-12(14)15-16(2)3/h4-6,9,12,15H,7-8,10-11,14H2,1-3H3
InChIKeyZJLHDRLANLBABN-UHFFFAOYSA-N
XLogP2.03
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The IUPAC name of 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine (CID 175195362) is 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The canonical SMILES for 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine is CN(C)NC(N)CCCC1(C)C=CC=CC1.
What is the InChIKey of 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine?
The InChIKey is ZJLHDRLANLBABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(9-5-4-6-10-13)11-7-8-12(14)15-16(2)3/h4-6,9,12,15H,7-8,10-11,14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine?
1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylhydrazinyl)-4-(1-methylcyclohexa-2,4-dien-1-yl)butan-1-amine is sourced from PubChem (CID 175195362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).