N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine

C10H18N4O2 — CID 161075001

IUPACN-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
SMILESCNC.Cc1cc(N(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O2.C2H7N/c1-6-4-8(10(2)3)9-5-7(6)11(12)13;1-3-2/h4-5H,1-3H3;3H,1-2H3
InChIKeyUFDPSCIFNKGJGR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.20
Rot. Bonds2

About N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine

N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine (PubChem CID 161075001) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
PubChem CID161075001
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
SMILESCNC.Cc1cc(N(C)C)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O2.C2H7N/c1-6-4-8(10(2)3)9-5-7(6)11(12)13;1-3-2/h4-5H,1-3H3;3H,1-2H3
InChIKeyUFDPSCIFNKGJGR-UHFFFAOYSA-N
XLogP1.20
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.20
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-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176539
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
(2R)-1-[[(2R)-1-hydroxypropan-2-yl]-(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 124861469
N-[2-(aminomethyl)cyclopentyl]-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176067
N,N,2-trimethyl-5-nitropyridin-4-amine
CID 70227740
2-[(4-methyl-5-nitro-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 79173214
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642055
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
3-[ethyl-(4-methyl-5-nitro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 79172605
N-(1-benzofuran-2-ylmethyl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 133355569
4-methyl-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
CID 79176604

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine?
The IUPAC name of N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine (CID 161075001) is N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine?
The canonical SMILES for N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine is CNC.Cc1cc(N(C)C)ncc1[N+](=O)[O-].
What is the InChIKey of N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine?
The InChIKey is UFDPSCIFNKGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.C2H7N/c1-6-4-8(10(2)3)9-5-7(6)11(12)13;1-3-2/h4-5H,1-3H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine?
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 161075001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).