3-pentylpentane-2,4-diimine

C10H20N2 — CID 88869901

IUPAC3-pentylpentane-2,4-diimine
SMILES[H]/N=C(\C)C(CCCCC)/C(C)=N/[H]
InChIInChI=1S/C10H20N2/c1-4-5-6-7-10(8(2)11)9(3)12/h10-12H,4-7H2,1-3H3/b11-8+,12-9+
InChIKeyWEAPNXIIIJVSEH-HZOWPXDZSA-N
MW168.28 g/mol
LogP3.26
Rot. Bonds6

About 3-pentylpentane-2,4-diimine

3-pentylpentane-2,4-diimine (PubChem CID 88869901) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-pentylpentane-2,4-diimine.

Molecular Properties

Compound Name3-pentylpentane-2,4-diimine
PubChem CID88869901
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-pentylpentane-2,4-diimine
SMILES[H]/N=C(\C)C(CCCCC)/C(C)=N/[H]
InChIInChI=1S/C10H20N2/c1-4-5-6-7-10(8(2)11)9(3)12/h10-12H,4-7H2,1-3H3/b11-8+,12-9+
InChIKeyWEAPNXIIIJVSEH-HZOWPXDZSA-N
XLogP3.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-pentylpentane-2,4-diimine?
The IUPAC name of 3-pentylpentane-2,4-diimine (CID 88869901) is 3-pentylpentane-2,4-diimine.
What is the SMILES notation for 3-pentylpentane-2,4-diimine?
The canonical SMILES for 3-pentylpentane-2,4-diimine is [H]/N=C(\C)C(CCCCC)/C(C)=N/[H].
What is the InChIKey of 3-pentylpentane-2,4-diimine?
The InChIKey is WEAPNXIIIJVSEH-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-7-10(8(2)11)9(3)12/h10-12H,4-7H2,1-3H3/b11-8+,12-9+.
What are the key properties of 3-pentylpentane-2,4-diimine?
3-pentylpentane-2,4-diimine has a molecular weight of 168.28 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpentane-2,4-diimine is sourced from PubChem (CID 88869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).