6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine

C9H17N3 — CID 145188106

IUPAC6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C(/C1=C(N)CCCN1)C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)8(11)9-7(10)4-3-5-12-9/h6,11-12H,3-5,10H2,1-2H3/b11-8+
InChIKeyIKWJBXADFMTOQO-DHZHZOJOSA-N
MW167.26 g/mol
LogP1.22
Rot. Bonds2

About 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine

6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine (PubChem CID 145188106) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine
PubChem CID145188106
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C(/C1=C(N)CCCN1)C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)8(11)9-7(10)4-3-5-12-9/h6,11-12H,3-5,10H2,1-2H3/b11-8+
InChIKeyIKWJBXADFMTOQO-DHZHZOJOSA-N
XLogP1.22
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-2-propan-2-ylidene-1H-pyrazine
CID 118941639
(Z)-2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613744
2,6-dimethyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 126613745
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
5-Butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 145187939
ethane;(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 145551937
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720
6-Propan-2-yl-1,2,3,4-tetrahydropyridin-5-amine
CID 167037379
(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine
CID 178154697
(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine
CID 178154716

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine?
The IUPAC name of 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine (CID 145188106) is 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine.
What is the SMILES notation for 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine?
The canonical SMILES for 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine is [H]/N=C(/C1=C(N)CCCN1)C(C)C.
What is the InChIKey of 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine?
The InChIKey is IKWJBXADFMTOQO-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8(11)9-7(10)4-3-5-12-9/h6,11-12H,3-5,10H2,1-2H3/b11-8+.
What are the key properties of 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine?
6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine is sourced from PubChem (CID 145188106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).