N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine

C14H29N3O2 — CID 19845938

IUPACN-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCCCN1CC(C)(C)[N+](=O)[O-]
InChIInChI=1S/C14H29N3O2/c1-5-15(6-2)11-13-9-7-8-10-16(13)12-14(3,4)17(18)19/h13H,5-12H2,1-4H3
InChIKeyMVFPFEMJYWDXAV-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.24
Rot. Bonds7

About N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine

N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 19845938) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine
PubChem CID19845938
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCCCN1CC(C)(C)[N+](=O)[O-]
InChIInChI=1S/C14H29N3O2/c1-5-15(6-2)11-13-9-7-8-10-16(13)12-14(3,4)17(18)19/h13H,5-12H2,1-4H3
InChIKeyMVFPFEMJYWDXAV-UHFFFAOYSA-N
XLogP2.24
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine (CID 19845938) is N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine is CCN(CC)CC1CCCCN1CC(C)(C)[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is MVFPFEMJYWDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-15(6-2)11-13-9-7-8-10-16(13)12-14(3,4)17(18)19/h13H,5-12H2,1-4H3.
What are the key properties of N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine?
N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(2-methyl-2-nitropropyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 19845938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).