N-propyl-2,5-dihydropyridin-6-amine

C8H14N2 — CID 56630298

IUPACN-propyl-2,5-dihydropyridin-6-amine
SMILESCCCNC1=NCC=CC1
InChIInChI=1S/C8H14N2/c1-2-6-9-8-5-3-4-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10)
InChIKeyGWHXWASLMDOCQE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About N-propyl-2,5-dihydropyridin-6-amine

N-propyl-2,5-dihydropyridin-6-amine (PubChem CID 56630298) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-propyl-2,5-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-propyl-2,5-dihydropyridin-6-amine
PubChem CID56630298
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-propyl-2,5-dihydropyridin-6-amine
SMILESCCCNC1=NCC=CC1
InChIInChI=1S/C8H14N2/c1-2-6-9-8-5-3-4-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10)
InChIKeyGWHXWASLMDOCQE-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
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-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
2-[(E)-pent-1-enyl]-4,5-dihydro-1H-imidazole
CID 21608209
N'-[(E)-4-fluorobut-3-en-2-yl]-N-[(Z)-pent-3-en-2-yl]ethanimidamide
CID 144414903
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
N,N-diethyl-2,5-dihydropyridin-6-amine
CID 56625538
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
1-methyl-N-propyl-2,5-dihydropyridin-6-imine
CID 56633011
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
N-methyl-6-methylimino-2,5-dihydropyridin-1-amine
CID 57320112

Frequently Asked Questions

What is the IUPAC name of N-propyl-2,5-dihydropyridin-6-amine?
The IUPAC name of N-propyl-2,5-dihydropyridin-6-amine (CID 56630298) is N-propyl-2,5-dihydropyridin-6-amine.
What is the SMILES notation for N-propyl-2,5-dihydropyridin-6-amine?
The canonical SMILES for N-propyl-2,5-dihydropyridin-6-amine is CCCNC1=NCC=CC1.
What is the InChIKey of N-propyl-2,5-dihydropyridin-6-amine?
The InChIKey is GWHXWASLMDOCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-6-9-8-5-3-4-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10).
What are the key properties of N-propyl-2,5-dihydropyridin-6-amine?
N-propyl-2,5-dihydropyridin-6-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2,5-dihydropyridin-6-amine is sourced from PubChem (CID 56630298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).