N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine

C9H19N3O — CID 89049459

IUPACN,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine
SMILESCN(C)CCN1CCC(N=O)CC1
InChIInChI=1S/C9H19N3O/c1-11(2)7-8-12-5-3-9(10-13)4-6-12/h9H,3-8H2,1-2H3
InChIKeyOTRAPTAWHAEYHZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds4

About N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine

N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine (PubChem CID 89049459) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine
PubChem CID89049459
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine
SMILESCN(C)CCN1CCC(N=O)CC1
InChIInChI=1S/C9H19N3O/c1-11(2)7-8-12-5-3-9(10-13)4-6-12/h9H,3-8H2,1-2H3
InChIKeyOTRAPTAWHAEYHZ-UHFFFAOYSA-N
XLogP0.78
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 5452134
CID 783765
Cambridge id 5452560
CID 783804
(3R,4S)-3-fluoro-1-methyl-4-nitrosopiperidine
CID 89049308
N~1~-ethyl-N~2~,N~2~-dimethyl-N~1~-(1-methyl-4-piperidinyl)-1,2-ethanediamine
CID 783847
N'-ethyl-N,N-dimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
CID 2846519
1-(2-Nitropropyl)piperidine
CID 129639002
N',N'-diethyl-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 784115
N1-Ethyl-N1-(1-ethylpiperidin-4-yl)-N2,N2-dimethylethane-1,2-diamine
CID 2846529
N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 2846648
1-Methyl-3-nitrosopiperidine
CID 56612188
1-[2-(dimethylamino)ethyl]-N-methyl-N-propan-2-ylpiperidin-4-amine
CID 57677486
N,N,N'-trimethyl-N'-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 58547466

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine (CID 89049459) is N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine is CN(C)CCN1CCC(N=O)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine?
The InChIKey is OTRAPTAWHAEYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11(2)7-8-12-5-3-9(10-13)4-6-12/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine?
N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitrosopiperidin-1-yl)ethanamine is sourced from PubChem (CID 89049459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).