hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate

C12H25N3O2 — CID 66339331

IUPAChydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
SMILESCC(C)C1CCCN(CCC(=O)ONN)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)11-4-3-7-15(8-5-11)9-6-12(16)17-14-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyGKAMWKYNWSIOOV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.06
Rot. Bonds5

About hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate

hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate (PubChem CID 66339331) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
PubChem CID66339331
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Namehydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
SMILESCC(C)C1CCCN(CCC(=O)ONN)CC1
InChIInChI=1S/C12H25N3O2/c1-10(2)11-4-3-7-15(8-5-11)9-6-12(16)17-14-13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyGKAMWKYNWSIOOV-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

hydrazinyl 3-(4-methylpiperidin-1-yl)propanoate
CID 66337111
hydrazinyl 3-(3-ethylpiperidin-1-yl)propanoate
CID 66339133
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320
hydrazinyl 3-(2-methylpyrrolidin-1-yl)propanoate
CID 66339308
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
hydrazinyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoate
CID 66371826
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate?
The IUPAC name of hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate (CID 66339331) is hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate?
The canonical SMILES for hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate is CC(C)C1CCCN(CCC(=O)ONN)CC1.
What is the InChIKey of hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate?
The InChIKey is GKAMWKYNWSIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)11-4-3-7-15(8-5-11)9-6-12(16)17-14-13/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate?
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate is sourced from PubChem (CID 66339331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).