N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine

C14H22N4O2 — CID 107401482

IUPACN-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CCC1
InChIInChI=1S/C14H22N4O2/c1-2-17(9-11-4-3-5-11)10-12-8-13(18(19)20)6-7-14(12)16-15/h6-8,11,16H,2-5,9-10,15H2,1H3
InChIKeyHIZPXMYVLQVMMX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.50
Rot. Bonds7

About N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine

N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine (PubChem CID 107401482) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
PubChem CID107401482
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CCC1
InChIInChI=1S/C14H22N4O2/c1-2-17(9-11-4-3-5-11)10-12-8-13(18(19)20)6-7-14(12)16-15/h6-8,11,16H,2-5,9-10,15H2,1H3
InChIKeyHIZPXMYVLQVMMX-UHFFFAOYSA-N
XLogP2.50
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
CID 64520066
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743198
N-[(2-bromo-4-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79703825
2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191221
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine
CID 107398261

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine (CID 107401482) is N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine is CCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine?
The InChIKey is HIZPXMYVLQVMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-17(9-11-4-3-5-11)10-12-8-13(18(19)20)6-7-14(12)16-15/h6-8,11,16H,2-5,9-10,15H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine?
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 107401482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).