N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine

C14H22N4O2 — CID 62245318

IUPACN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
SMILESCCCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CC1
InChIInChI=1S/C14H22N4O2/c1-2-7-17(9-11-3-4-11)10-12-8-13(18(19)20)5-6-14(12)16-15/h5-6,8,11,16H,2-4,7,9-10,15H2,1H3
InChIKeyUAFJBKCKEWYTNK-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.50
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine (PubChem CID 62245318) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
PubChem CID62245318
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
SMILESCCCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CC1
InChIInChI=1S/C14H22N4O2/c1-2-7-17(9-11-3-4-11)10-12-8-13(18(19)20)5-6-14(12)16-15/h5-6,8,11,16H,2-4,7,9-10,15H2,1H3
InChIKeyUAFJBKCKEWYTNK-UHFFFAOYSA-N
XLogP2.50
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
CID 64520066
2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
CID 62183553
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743198
2-[[2-(methylamino)-5-nitrophenyl]methyl-propylamino]ethanol
CID 55046082
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine (CID 62245318) is N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine is CCCN(Cc1cc([N+](=O)[O-])ccc1NN)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine?
The InChIKey is UAFJBKCKEWYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-7-17(9-11-3-4-11)10-12-8-13(18(19)20)5-6-14(12)16-15/h5-6,8,11,16H,2-4,7,9-10,15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 62245318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).