1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine

C17H29N3 — CID 105243774

IUPAC1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-14-8-10-15(11-9-14)16(19-18)17(20(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13,18H2,1-3H3
InChIKeyXSIQKGUIBABLTB-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.15
Rot. Bonds4

About 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243774) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243774
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C(NN)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C17H29N3/c1-14-8-10-15(11-9-14)16(19-18)17(20(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13,18H2,1-3H3
InChIKeyXSIQKGUIBABLTB-UHFFFAOYSA-N
XLogP3.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.15
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-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242531
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
CID 79075014
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
[(4-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242945
[(2-methyloxolan-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105250712

Frequently Asked Questions

What is the IUPAC name of 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 105243774) is 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccc(C(NN)C2(N(C)C)CCCCCC2)cc1.
What is the InChIKey of 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is XSIQKGUIBABLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-8-10-15(11-9-14)16(19-18)17(20(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13,18H2,1-3H3.
What are the key properties of 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).