N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine

C11H22N2 — CID 94374891

IUPACN-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine
SMILESC1CC[C@@H](CCCNC2CC2)NC1
InChIInChI=1S/C11H22N2/c1-2-8-12-10(4-1)5-3-9-13-11-6-7-11/h10-13H,1-9H2/t10-/m0/s1
InChIKeyOTRZPKMZVCGAJA-JTQLQIEISA-N
MW182.31 g/mol
LogP1.66
Rot. Bonds5

About N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine

N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine (PubChem CID 94374891) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine
PubChem CID94374891
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine
SMILESC1CC[C@@H](CCCNC2CC2)NC1
InChIInChI=1S/C11H22N2/c1-2-8-12-10(4-1)5-3-9-13-11-6-7-11/h10-13H,1-9H2/t10-/m0/s1
InChIKeyOTRZPKMZVCGAJA-JTQLQIEISA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
N-methyl-5-piperidin-2-ylpentan-1-amine
CID 166838615
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
N-methyl-2-piperidin-2-ylethanamine
CID 13073020
2-tetradecylpiperidine
CID 151771246
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
2-heptadecylazepane
CID 4009189
2-(4-methoxy-4-methylpentyl)piperidine
CID 121009823

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine (CID 94374891) is N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine is C1CC[C@@H](CCCNC2CC2)NC1.
What is the InChIKey of N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine?
The InChIKey is OTRZPKMZVCGAJA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2/c1-2-8-12-10(4-1)5-3-9-13-11-6-7-11/h10-13H,1-9H2/t10-/m0/s1.
What are the key properties of N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine?
N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine has a molecular weight of 182.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 94374891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).