N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide

C8H13N3 — CID 144729427

IUPACN-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide
SMILES[H]/N=C/N=C/C1=C(C)CCNC1
InChIInChI=1S/C8H13N3/c1-7-2-3-10-4-8(7)5-11-6-9/h5-6,9-10H,2-4H2,1H3/b9-6+,11-5+
InChIKeyBMLAMADCRIQGMH-XIPKQYMXSA-N
MW151.21 g/mol
LogP0.97
Rot. Bonds2

About N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide

N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide (PubChem CID 144729427) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide
PubChem CID144729427
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide
SMILES[H]/N=C/N=C/C1=C(C)CCNC1
InChIInChI=1S/C8H13N3/c1-7-2-3-10-4-8(7)5-11-6-9/h5-6,9-10H,2-4H2,1H3/b9-6+,11-5+
InChIKeyBMLAMADCRIQGMH-XIPKQYMXSA-N
XLogP0.97
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(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
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
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
N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine;prop-1-yne
CID 144148485
4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 158411994
1-(4-ethyl-2,5-dihydro-1H-pyrrol-3-yl)-N-methylmethanimine
CID 168952170
ethane;N-methyl-1-(4-methyl-2,3-dihydropyridin-5-yl)methanamine
CID 172331698

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide?
The IUPAC name of N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide (CID 144729427) is N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide.
What is the SMILES notation for N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide?
The canonical SMILES for N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide is [H]/N=C/N=C/C1=C(C)CCNC1.
What is the InChIKey of N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide?
The InChIKey is BMLAMADCRIQGMH-XIPKQYMXSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-2-3-10-4-8(7)5-11-6-9/h5-6,9-10H,2-4H2,1H3/b9-6+,11-5+.
What are the key properties of N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide?
N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide has a molecular weight of 151.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methylidene]methanimidamide is sourced from PubChem (CID 144729427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).