N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine

C9H20N2 — CID 94540790

IUPACN-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
SMILESCCNCC[C@@H]1CCCNC1
InChIInChI=1S/C9H20N2/c1-2-10-7-5-9-4-3-6-11-8-9/h9-11H,2-8H2,1H3/t9-/m0/s1
InChIKeyPAGRJOUHYZULDD-VIFPVBQESA-N
MW156.27 g/mol
LogP0.99
Rot. Bonds4

About N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine

N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine (PubChem CID 94540790) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
PubChem CID94540790
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
SMILESCCNCC[C@@H]1CCCNC1
InChIInChI=1S/C9H20N2/c1-2-10-7-5-9-4-3-6-11-8-9/h9-11H,2-8H2,1H3/t9-/m0/s1
InChIKeyPAGRJOUHYZULDD-VIFPVBQESA-N
XLogP0.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.99
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

N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
2-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
2-methyl-N-(2-piperidin-3-ylethyl)cyclopropan-1-amine
CID 62674400
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)cycloheptanamine
CID 62675109
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
(3S)-3-heptylpiperidine
CID 155456188
2-cyclopropyl-N-(2-piperidin-3-ylethyl)acetamide
CID 63628201
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
(3S)-3-(2-iodoethyl)piperidine
CID 97168699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine (CID 94540790) is N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine is CCNCC[C@@H]1CCCNC1.
What is the InChIKey of N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine?
The InChIKey is PAGRJOUHYZULDD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-2-10-7-5-9-4-3-6-11-8-9/h9-11H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine?
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine is sourced from PubChem (CID 94540790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).