(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine

C7H13N3 — CID 123963812

IUPAC(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILES[H]/N=C/C1=C(CN)CCNC1
InChIInChI=1S/C7H13N3/c8-3-6-1-2-10-5-7(6)4-9/h4,9-10H,1-3,5,8H2/b9-4+
InChIKeyVPPWNGCFLBTNBZ-RUDMXATFSA-N
MW139.20 g/mol
LogP-0.12
Rot. Bonds2

About (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine

(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine (PubChem CID 123963812) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine.

Molecular Properties

Compound Name(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
PubChem CID123963812
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
SMILES[H]/N=C/C1=C(CN)CCNC1
InChIInChI=1S/C7H13N3/c8-3-6-1-2-10-5-7(6)4-9/h4,9-10H,1-3,5,8H2/b9-4+
InChIKeyVPPWNGCFLBTNBZ-RUDMXATFSA-N
XLogP-0.12
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.12
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

N-(1,2,3,6-tetrahydropyridin-4-ylmethylidene)hydroxylamine
CID 85698122
(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
CID 89009886
5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 89122717
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
CID 123319751
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403
ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142384168
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384557
1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
CID 142384558
4-Methanimidoyl-1,2,3,6-tetrahydropyridin-5-amine
CID 143154576
N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine;prop-1-yne
CID 144148485

Frequently Asked Questions

What is the IUPAC name of (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The IUPAC name of (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine (CID 123963812) is (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine.
What is the SMILES notation for (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The canonical SMILES for (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine is [H]/N=C/C1=C(CN)CCNC1.
What is the InChIKey of (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine?
The InChIKey is VPPWNGCFLBTNBZ-RUDMXATFSA-N. The full InChI is InChI=1S/C7H13N3/c8-3-6-1-2-10-5-7(6)4-9/h4,9-10H,1-3,5,8H2/b9-4+.
What are the key properties of (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine?
(5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine is sourced from PubChem (CID 123963812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).