N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

C12H20N4O2 — CID 133275460

IUPACN'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNc1ncccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H20N4O2/c1-4-15(10(2)3)9-8-14-12-11(16(17)18)6-5-7-13-12/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyVHGCKOPSYXGOTR-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.13
Rot. Bonds7

About N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 133275460) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID133275460
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNc1ncccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H20N4O2/c1-4-15(10(2)3)9-8-14-12-11(16(17)18)6-5-7-13-12/h5-7,10H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyVHGCKOPSYXGOTR-UHFFFAOYSA-N
XLogP2.13
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-nitro-N-(3-phenylbutyl)pyridin-2-amine
CID 62404040
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 63966801
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (CID 133275460) is N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is CCN(CCNc1ncccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VHGCKOPSYXGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-15(10(2)3)9-8-14-12-11(16(17)18)6-5-7-13-12/h5-7,10H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-nitro-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 133275460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).