1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine

C17H29N3O — CID 105242531

IUPAC1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC(C)Oc1ccc(C(NN)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)21-15-9-7-14(8-10-15)16(19-18)17(20(3)4)11-5-6-12-17/h7-10,13,16,19H,5-6,11-12,18H2,1-4H3
InChIKeyZLISVLXOLKYVEU-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.85
Rot. Bonds6

About 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine

1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 105242531) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID105242531
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCC(C)Oc1ccc(C(NN)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)21-15-9-7-14(8-10-15)16(19-18)17(20(3)4)11-5-6-12-17/h7-10,13,16,19H,5-6,11-12,18H2,1-4H3
InChIKeyZLISVLXOLKYVEU-UHFFFAOYSA-N
XLogP2.85
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
[(2-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105250961
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105270350
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
[(1-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330488
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
[(1-methylcyclohexyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 106831203

Frequently Asked Questions

What is the IUPAC name of 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine (CID 105242531) is 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine is CC(C)Oc1ccc(C(NN)C2(N(C)C)CCCC2)cc1.
What is the InChIKey of 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ZLISVLXOLKYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)21-15-9-7-14(8-10-15)16(19-18)17(20(3)4)11-5-6-12-17/h7-10,13,16,19H,5-6,11-12,18H2,1-4H3.
What are the key properties of 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 105242531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).