3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)

C18H37FeN6- — CID 6389349

IUPAC3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)
SMILESNCC1CC=CC[N-]1.NCC1CCCC[N-]1.NCC1CCCC[N-]1.[Fe+2]
InChIInChI=1S/2C6H13N2.C6H11N2.Fe/c3*7-5-6-3-1-2-4-8-6;/h2*6H,1-5,7H2;1-2,6H,3-5,7H2;/q3*-1;+2
InChIKeyBBUDXKACTPVYEK-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.39
Rot. Bonds3

About 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)

3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine) (PubChem CID 6389349) has the molecular formula C18H37FeN6- and a molecular weight of 393.38 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine).

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)
PubChem CID6389349
Molecular FormulaC18H37FeN6-
Molecular Weight393.38 g/mol
Exact Mass393.24
IUPAC Name3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)
SMILESNCC1CC=CC[N-]1.NCC1CCCC[N-]1.NCC1CCCC[N-]1.[Fe+2]
InChIInChI=1S/2C6H13N2.C6H11N2.Fe/c3*7-5-6-3-1-2-4-8-6;/h2*6H,1-5,7H2;1-2,6H,3-5,7H2;/q3*-1;+2
InChIKeyBBUDXKACTPVYEK-UHFFFAOYSA-N
XLogP2.39
TPSA120.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;2-(3,6-dihydro-2H-pyridin-1-id-2-yl)ethanamine;2-piperidin-1-id-2-ylethanamine;diisothiocyanate
CID 6394188
copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
CID 5257754
potassium pyrrolidin-1-id-2-ylmethanamine
CID 176672459
3,6-dihydro-2H-pyridin-1-id-2-yl-di(piperidin-1-id-2-yl)methanol;methylmercury(1+)
CID 5254858
dichloropalladium;2-(2-piperidin-1-id-2-ylethyl)piperidin-1-ide
CID 54598379
[(8Z)-2-bicyclo[9.2.2]pentadec-8-enyl]methanamine
CID 139442119
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
2-amino-3-cyclohexylpropanoic acid;cobalt(2+);1-N-(piperidin-1-id-2-ylmethyl)-2-N-(2H-pyridin-1-id-6-ylmethyl)cyclohexane-1,2-diamine
CID 6395121
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-amine
CID 45078750
(2,7-dimethylcycloheptyl)methanamine
CID 83905212

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine) (CID 6389349) is 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine).
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine) is NCC1CC=CC[N-]1.NCC1CCCC[N-]1.NCC1CCCC[N-]1.[Fe+2].
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)?
The InChIKey is BBUDXKACTPVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N2.C6H11N2.Fe/c3*7-5-6-3-1-2-4-8-6;/h2*6H,1-5,7H2;1-2,6H,3-5,7H2;/q3*-1;+2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine)?
3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine) has a molecular weight of 393.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-id-2-ylmethanamine;iron(2+);bis(piperidin-1-id-2-ylmethanamine) is sourced from PubChem (CID 6389349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).