2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine

C10H23N3 — CID 130315688

IUPAC2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
SMILESCC(C)(N)NCCC1CCCCN1
InChIInChI=1S/C10H23N3/c1-10(2,11)13-8-6-9-5-3-4-7-12-9/h9,12-13H,3-8,11H2,1-2H3
InChIKeyVQKPAIUTALBEGT-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.80
Rot. Bonds4

About 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine

2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine (PubChem CID 130315688) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
PubChem CID130315688
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
SMILESCC(C)(N)NCCC1CCCCN1
InChIInChI=1S/C10H23N3/c1-10(2,11)13-8-6-9-5-3-4-7-12-9/h9,12-13H,3-8,11H2,1-2H3
InChIKeyVQKPAIUTALBEGT-UHFFFAOYSA-N
XLogP0.80
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832
N-methyl-2-piperidin-2-ylethanamine
CID 13073020
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
3,3-dimethyl-N-(2-piperidin-2-ylethyl)butanamide
CID 24697478
2-methyl-4-[(2S)-piperidin-2-yl]butan-2-ol
CID 143395873
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210522
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823
azane;2-propylpiperidine
CID 156844924

Frequently Asked Questions

What is the IUPAC name of 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine?
The IUPAC name of 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine (CID 130315688) is 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine.
What is the SMILES notation for 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine?
The canonical SMILES for 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine is CC(C)(N)NCCC1CCCCN1.
What is the InChIKey of 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine?
The InChIKey is VQKPAIUTALBEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(2,11)13-8-6-9-5-3-4-7-12-9/h9,12-13H,3-8,11H2,1-2H3.
What are the key properties of 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine?
2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine is sourced from PubChem (CID 130315688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).