1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine

C15H27N3 — CID 177225040

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine
SMILES[H]/N=C(C1=CCCN(C)C1)\C(CCCCCCC)=N\[H]
InChIInChI=1S/C15H27N3/c1-3-4-5-6-7-10-14(16)15(17)13-9-8-11-18(2)12-13/h9,16-17H,3-8,10-12H2,1-2H3/b16-14+,17-15-
InChIKeyXWZRLRDXACHCOJ-GGTPAPDOSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds8

About 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine

1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine (PubChem CID 177225040) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine
PubChem CID177225040
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine
SMILES[H]/N=C(C1=CCCN(C)C1)\C(CCCCCCC)=N\[H]
InChIInChI=1S/C15H27N3/c1-3-4-5-6-7-10-14(16)15(17)13-9-8-11-18(2)12-13/h9,16-17H,3-8,10-12H2,1-2H3/b16-14+,17-15-
InChIKeyXWZRLRDXACHCOJ-GGTPAPDOSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 15598787
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentylidene]hydroxylamine
CID 85546314
1-N-ethyl-6-imino-8-methylnon-7-ene-1,5-diamine
CID 91539250
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287
(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine
CID 156544458
2,2,5-Trimethyl-1,3,4,8-tetrahydroisoquinolin-2-ium-7-imine
CID 163419716
4-(C,N-dimethylcarbonimidoyl)-N-(2-methylprop-2-enyl)cyclohex-3-en-1-amine
CID 163848992

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine (CID 177225040) is 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine is [H]/N=C(C1=CCCN(C)C1)\C(CCCCCCC)=N\[H].
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine?
The InChIKey is XWZRLRDXACHCOJ-GGTPAPDOSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-4-5-6-7-10-14(16)15(17)13-9-8-11-18(2)12-13/h9,16-17H,3-8,10-12H2,1-2H3/b16-14+,17-15-.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine?
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)nonane-1,2-diimine is sourced from PubChem (CID 177225040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).