1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine

C14H24N4O2 — CID 79173449

IUPAC1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
SMILESCc1cc(NC(CC(C)C)CN(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-10(2)6-12(9-17(4)5)16-14-7-11(3)13(8-15-14)18(19)20/h7-8,10,12H,6,9H2,1-5H3,(H,15,16)
InChIKeyXFDTZTNVEMHEOE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.69
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine (PubChem CID 79173449) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
PubChem CID79173449
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
SMILESCc1cc(NC(CC(C)C)CN(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H24N4O2/c1-10(2)6-12(9-17(4)5)16-14-7-11(3)13(8-15-14)18(19)20/h7-8,10,12H,6,9H2,1-5H3,(H,15,16)
InChIKeyXFDTZTNVEMHEOE-UHFFFAOYSA-N
XLogP2.69
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.69
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

4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
2-N-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 104507901
2-N-(4-fluoro-5-methyl-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 103591616
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
CID 79175938
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
2-N-(4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66066470
4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 79174122
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 62099704
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66099657

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine (CID 79173449) is 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine is Cc1cc(NC(CC(C)C)CN(C)C)ncc1[N+](=O)[O-].
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine?
The InChIKey is XFDTZTNVEMHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)6-12(9-17(4)5)16-14-7-11(3)13(8-15-14)18(19)20/h7-8,10,12H,6,9H2,1-5H3,(H,15,16).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine is sourced from PubChem (CID 79173449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).