1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C15H29N3O — CID 105243404

IUPAC1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)C2=COCCC2)(N(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-12-6-8-15(9-7-12,18(2)3)14(17-16)13-5-4-10-19-11-13/h11-12,14,17H,4-10,16H2,1-3H3
InChIKeyUCZOTPKIMZKEAL-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.02
Rot. Bonds4

About 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 105243404) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID105243404
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(NN)C2=COCCC2)(N(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-12-6-8-15(9-7-12,18(2)3)14(17-16)13-5-4-10-19-11-13/h11-12,14,17H,4-10,16H2,1-3H3
InChIKeyUCZOTPKIMZKEAL-UHFFFAOYSA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.02
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-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649217
1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649218
[3,4-dihydro-2H-pyran-5-yl-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105333259
[3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277842
[3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232413
[3,4-dihydro-2H-pyran-5-yl-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217027
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-[cycloheptyl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243452
[3,4-dihydro-2H-pyran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333267
1-[hydrazinyl(oxolan-3-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243421
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 105243404) is 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(NN)C2=COCCC2)(N(C)C)CC1.
What is the InChIKey of 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is UCZOTPKIMZKEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-6-8-15(9-7-12,18(2)3)14(17-16)13-5-4-10-19-11-13/h11-12,14,17H,4-10,16H2,1-3H3.
What are the key properties of 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-pyran-5-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).