3-N-(4-methylnonan-5-yl)butane-2,3-diimine

C14H28N2 — CID 123315755

IUPAC3-N-(4-methylnonan-5-yl)butane-2,3-diimine
SMILES[H]/N=C(C)/C(C)=N/C(CCCC)C(C)CCC
InChIInChI=1S/C14H28N2/c1-6-8-10-14(11(3)9-7-2)16-13(5)12(4)15/h11,14-15H,6-10H2,1-5H3/b15-12+,16-13+
InChIKeySLOYDPCRPHZZLD-WSGPNKEYSA-N
MW224.39 g/mol
LogP4.48
Rot. Bonds8

About 3-N-(4-methylnonan-5-yl)butane-2,3-diimine

3-N-(4-methylnonan-5-yl)butane-2,3-diimine (PubChem CID 123315755) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-N-(4-methylnonan-5-yl)butane-2,3-diimine.

Molecular Properties

Compound Name3-N-(4-methylnonan-5-yl)butane-2,3-diimine
PubChem CID123315755
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-N-(4-methylnonan-5-yl)butane-2,3-diimine
SMILES[H]/N=C(C)/C(C)=N/C(CCCC)C(C)CCC
InChIInChI=1S/C14H28N2/c1-6-8-10-14(11(3)9-7-2)16-13(5)12(4)15/h11,14-15H,6-10H2,1-5H3/b15-12+,16-13+
InChIKeySLOYDPCRPHZZLD-WSGPNKEYSA-N
XLogP4.48
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90658301
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(2S)-5-fluoro-2,9-dimethyl-4-propyl-3,4,5,6,7,8-hexahydro-2H-azonine
CID 138749750
(2S,5R)-5,7-dimethyl-2-propan-2-yl-3,4,5,6-tetrahydro-2H-azepine
CID 134889674
4-methyl-5-nonyl-3,4-dihydro-2H-pyrrole
CID 134924189
5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole
CID 90658302
(4S)-5-methyl-4-undecyl-3,4-dihydro-2H-pyrrole
CID 163193866
12-Azabicyclo[9.3.1]pentadec-11-ene
CID 337937
5-heptan-4-yl-3,4-dihydro-2H-pyrrole
CID 15434209
2,6-Di(propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 19382536
2,3,5,7-tetramethyl-3,4,5,6-tetrahydro-2H-azepine
CID 20761802
3,4,5,6-Tetraethyl-2,3,4,5-tetrahydropyridine
CID 22154996

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methylnonan-5-yl)butane-2,3-diimine?
The IUPAC name of 3-N-(4-methylnonan-5-yl)butane-2,3-diimine (CID 123315755) is 3-N-(4-methylnonan-5-yl)butane-2,3-diimine.
What is the SMILES notation for 3-N-(4-methylnonan-5-yl)butane-2,3-diimine?
The canonical SMILES for 3-N-(4-methylnonan-5-yl)butane-2,3-diimine is [H]/N=C(C)/C(C)=N/C(CCCC)C(C)CCC.
What is the InChIKey of 3-N-(4-methylnonan-5-yl)butane-2,3-diimine?
The InChIKey is SLOYDPCRPHZZLD-WSGPNKEYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-8-10-14(11(3)9-7-2)16-13(5)12(4)15/h11,14-15H,6-10H2,1-5H3/b15-12+,16-13+.
What are the key properties of 3-N-(4-methylnonan-5-yl)butane-2,3-diimine?
3-N-(4-methylnonan-5-yl)butane-2,3-diimine has a molecular weight of 224.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methylnonan-5-yl)butane-2,3-diimine is sourced from PubChem (CID 123315755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).