N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine

C10H20N2 — CID 114410601

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CC=CCC1
InChIInChI=1S/C10H20N2/c1-10(2)11-6-9-12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyIBEVFQQOHHMOSW-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine (PubChem CID 114410601) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
PubChem CID114410601
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CC=CCC1
InChIInChI=1S/C10H20N2/c1-10(2)11-6-9-12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3
InChIKeyIBEVFQQOHHMOSW-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 114413093
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-yn-1-amine
CID 114410525
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
CID 114411267
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
1-(3,6-dihydro-2H-pyridin-1-yl)-N,2-dimethylpropan-2-amine
CID 114410544
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine (CID 114410601) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine is CC(C)NCCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The InChIKey is IBEVFQQOHHMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)11-6-9-12-7-4-3-5-8-12/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114410601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).