N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine

C14H20N4O2 — CID 64520066

IUPACN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
SMILESNNc1ccc([N+](=O)[O-])cc1CN(CC1CC1)C1CC1
InChIInChI=1S/C14H20N4O2/c15-16-14-6-5-13(18(19)20)7-11(14)9-17(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9,15H2
InChIKeySSXDPQZNUMDRNO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine

N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine (PubChem CID 64520066) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
PubChem CID64520066
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
SMILESNNc1ccc([N+](=O)[O-])cc1CN(CC1CC1)C1CC1
InChIInChI=1S/C14H20N4O2/c15-16-14-6-5-13(18(19)20)7-11(14)9-17(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9,15H2
InChIKeySSXDPQZNUMDRNO-UHFFFAOYSA-N
XLogP2.25
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine (CID 64520066) is N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine is NNc1ccc([N+](=O)[O-])cc1CN(CC1CC1)C1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine?
The InChIKey is SSXDPQZNUMDRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-16-14-6-5-13(18(19)20)7-11(14)9-17(12-3-4-12)8-10-1-2-10/h5-7,10,12,16H,1-4,8-9,15H2.
What are the key properties of N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine has a molecular weight of 276.34 g/mol, XLogP of 2.25, 7 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]cyclopropanamine is sourced from PubChem (CID 64520066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).