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

C9H16N2 — CID 56627724

IUPACN-butyl-2,5-dihydropyridin-6-amine
SMILESCCCCNC1=NCC=CC1
InChIInChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h4-5H,2-3,6-8H2,1H3,(H,10,11)
InChIKeyCPQWDYZQDCDDLR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds3

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

N-butyl-2,5-dihydropyridin-6-amine (PubChem CID 56627724) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-butyl-2,5-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-butyl-2,5-dihydropyridin-6-amine
PubChem CID56627724
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-butyl-2,5-dihydropyridin-6-amine
SMILESCCCCNC1=NCC=CC1
InChIInChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h4-5H,2-3,6-8H2,1H3,(H,10,11)
InChIKeyCPQWDYZQDCDDLR-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)-2,5-dihydropyrazin-2-ol
CID 57170433
N-octyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
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N-butylpyrimidin-5-amine
CID 54172306
N-butylcyclohexa-1,3-dien-1-amine
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N-(3-butoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 115571546
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
1-N,4-N-dibutyl-2,3-dimethylbenzene-1,4-diamine
CID 19915579
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523859
N-butyl-3,5-dichloropyridin-4-amine
CID 119088250
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
(5R,8R)-3-(butylamino)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine-5,7,8-triol;ethane
CID 143979675
2-N-butylcyclohexa-1,3-diene-1,2-diamine
CID 147582291

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5-dihydropyridin-6-amine?
The IUPAC name of N-butyl-2,5-dihydropyridin-6-amine (CID 56627724) is N-butyl-2,5-dihydropyridin-6-amine.
What is the SMILES notation for N-butyl-2,5-dihydropyridin-6-amine?
The canonical SMILES for N-butyl-2,5-dihydropyridin-6-amine is CCCCNC1=NCC=CC1.
What is the InChIKey of N-butyl-2,5-dihydropyridin-6-amine?
The InChIKey is CPQWDYZQDCDDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-7-10-9-6-4-5-8-11-9/h4-5H,2-3,6-8H2,1H3,(H,10,11).
What are the key properties of N-butyl-2,5-dihydropyridin-6-amine?
N-butyl-2,5-dihydropyridin-6-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dihydropyridin-6-amine is sourced from PubChem (CID 56627724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).