N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C14H23N3O3 — CID 106631949

IUPACN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc([N+](=O)[O-])o1)CC1CCCCN1
InChIInChI=1S/C14H23N3O3/c1-11(2)16(9-12-5-3-4-8-15-12)10-13-6-7-14(20-13)17(18)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyFGPHNTOSZDRJGJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds6

About N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106631949) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106631949
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc([N+](=O)[O-])o1)CC1CCCCN1
InChIInChI=1S/C14H23N3O3/c1-11(2)16(9-12-5-3-4-8-15-12)10-13-6-7-14(20-13)17(18)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyFGPHNTOSZDRJGJ-UHFFFAOYSA-N
XLogP2.54
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
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

5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610095
2-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
CID 62341611
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-ethyl-1-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603598
2-methyl-4-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylaniline
CID 106641300
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
CID 106614645
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106631949) is N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ccc([N+](=O)[O-])o1)CC1CCCCN1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is FGPHNTOSZDRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)16(9-12-5-3-4-8-15-12)10-13-6-7-14(20-13)17(18)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106631949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).