5-(3-iminobutyl)decane-2,6-diimine

C14H27N3 — CID 57178709

IUPAC5-(3-iminobutyl)decane-2,6-diimine
SMILES[H]/N=C(\C)CCC(CC/C(C)=N/[H])/C(CCCC)=N/[H]
InChIInChI=1S/C14H27N3/c1-4-5-6-14(17)13(9-7-11(2)15)10-8-12(3)16/h13,15-17H,4-10H2,1-3H3/b15-11+,16-12+,17-14+
InChIKeyOLECKCQVNZRTDZ-UKYUFSSYSA-N
MW237.39 g/mol
LogP4.45
Rot. Bonds10

About 5-(3-iminobutyl)decane-2,6-diimine

5-(3-iminobutyl)decane-2,6-diimine (PubChem CID 57178709) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(3-iminobutyl)decane-2,6-diimine.

Molecular Properties

Compound Name5-(3-iminobutyl)decane-2,6-diimine
PubChem CID57178709
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-(3-iminobutyl)decane-2,6-diimine
SMILES[H]/N=C(\C)CCC(CC/C(C)=N/[H])/C(CCCC)=N/[H]
InChIInChI=1S/C14H27N3/c1-4-5-6-14(17)13(9-7-11(2)15)10-8-12(3)16/h13,15-17H,4-10H2,1-3H3/b15-11+,16-12+,17-14+
InChIKeyOLECKCQVNZRTDZ-UKYUFSSYSA-N
XLogP4.45
TPSA71.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.45
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

Acetone, 1-(6-methylhept-2-yl)hydrazone
CID 9570869
N-cyclohexylpropylideneimine
CID 278552
4-Fluoro-5-methylheptan-2-imine
CID 172242737
2,6-Dimethylheptan-4-imine
CID 333868
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
Diisobutyl ketazine
CID 177896124
1-Cyclohexylethanimine
CID 18727539
Lithium 4-ethylcycloheptan-1-imine
CID 22098159
2,6-Dimethylheptan-4-ylidenehydrazine
CID 22637305
2,5-Dimethylhexane-3,4-diimine
CID 53686471
2,7-Dimethyloctane-4,5-diimine
CID 53784675
2,3,5,6-Tetramethylheptan-4-imine
CID 53984489

Frequently Asked Questions

What is the IUPAC name of 5-(3-iminobutyl)decane-2,6-diimine?
The IUPAC name of 5-(3-iminobutyl)decane-2,6-diimine (CID 57178709) is 5-(3-iminobutyl)decane-2,6-diimine.
What is the SMILES notation for 5-(3-iminobutyl)decane-2,6-diimine?
The canonical SMILES for 5-(3-iminobutyl)decane-2,6-diimine is [H]/N=C(\C)CCC(CC/C(C)=N/[H])/C(CCCC)=N/[H].
What is the InChIKey of 5-(3-iminobutyl)decane-2,6-diimine?
The InChIKey is OLECKCQVNZRTDZ-UKYUFSSYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-5-6-14(17)13(9-7-11(2)15)10-8-12(3)16/h13,15-17H,4-10H2,1-3H3/b15-11+,16-12+,17-14+.
What are the key properties of 5-(3-iminobutyl)decane-2,6-diimine?
5-(3-iminobutyl)decane-2,6-diimine has a molecular weight of 237.39 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iminobutyl)decane-2,6-diimine is sourced from PubChem (CID 57178709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).