tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate

C15H25N3O2 — CID 142209832

IUPACtert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CCCNN)cc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-13-8-6-12(7-9-13)5-4-10-18-16/h6-9,18H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyGQNPXOGTRFGPHS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds6

About tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate

tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate (PubChem CID 142209832) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
PubChem CID142209832
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(CCCNN)cc1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-13-8-6-12(7-9-13)5-4-10-18-16/h6-9,18H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyGQNPXOGTRFGPHS-UHFFFAOYSA-N
XLogP2.11
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-[3-[2-aminoethyl(methyl)amino]propyl]phenyl]methyl]carbamate
CID 59988344
methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]butanoate
CID 155189601
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[[4-(3-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539735
tert-butyl N-[[4-[2-(4-nitrophenyl)ethyl]phenyl]methyl]carbamate
CID 174249930
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-(aminosulfanylamino)phenyl]methyl]carbamate
CID 142539793
tert-butyl N-[[4-[2-[4-(ethoxycarbonylamino)butanoylamino]ethyl]phenyl]methyl]carbamate
CID 163196886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate (CID 142209832) is tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(CCCNN)cc1.
What is the InChIKey of tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate?
The InChIKey is GQNPXOGTRFGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)20-14(19)17-11-13-8-6-12(7-9-13)5-4-10-18-16/h6-9,18H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate is sourced from PubChem (CID 142209832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).