5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine

C9H17N3 — CID 145187939

IUPAC5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C(\CCC)C1=C(N)CCNC1
InChIInChI=1S/C9H17N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h10,12H,2-6,11H2,1H3/b10-8+
InChIKeySEZDMYQDVYKHJD-CSKARUKUSA-N
MW167.26 g/mol
LogP1.01
Rot. Bonds3

About 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine

5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 145187939) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID145187939
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C(\CCC)C1=C(N)CCNC1
InChIInChI=1S/C9H17N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h10,12H,2-6,11H2,1H3/b10-8+
InChIKeySEZDMYQDVYKHJD-CSKARUKUSA-N
XLogP1.01
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methyl-2,3,5,6-tetrahydro-1H-cyclopenta[b]pyrazine
CID 12306163
(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 88278220
O-[(Z)-[3-(hexylamino)-2-methylidenecyclohex-3-en-1-ylidene]amino]hydroxylamine
CID 89125531
4-(C,N-dimethylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 89510160
N-(1-piperidin-4-ylidenepropyl)hexan-2-imine
CID 91508186
1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
CID 118119679
N-(1-piperidin-4-ylidenebutyl)propan-2-imine
CID 123598376
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
1-(4-methylidene-2,3,5,6-tetrahydro-1H-quinolin-8-yl)ethanimine
CID 134364137
(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
CID 134567684
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788

Frequently Asked Questions

What is the IUPAC name of 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine (CID 145187939) is 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine is [H]/N=C(\CCC)C1=C(N)CCNC1.
What is the InChIKey of 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is SEZDMYQDVYKHJD-CSKARUKUSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h10,12H,2-6,11H2,1H3/b10-8+.
What are the key properties of 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine?
5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 167.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 145187939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).