5-ethylheptan-1-imine

C9H19N — CID 123407582

IUPAC5-ethylheptan-1-imine
SMILES[H]/N=C/CCCC(CC)CC
InChIInChI=1S/C9H19N/c1-3-9(4-2)7-5-6-8-10/h8-10H,3-7H2,1-2H3/b10-8+
InChIKeyIMCYXEDFYHBCMY-CSKARUKUSA-N
MW141.26 g/mol
LogP3.24
Rot. Bonds6

About 5-ethylheptan-1-imine

5-ethylheptan-1-imine (PubChem CID 123407582) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 5-ethylheptan-1-imine.

Molecular Properties

Compound Name5-ethylheptan-1-imine
PubChem CID123407582
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name5-ethylheptan-1-imine
SMILES[H]/N=C/CCCC(CC)CC
InChIInChI=1S/C9H19N/c1-3-9(4-2)7-5-6-8-10/h8-10H,3-7H2,1-2H3/b10-8+
InChIKeyIMCYXEDFYHBCMY-CSKARUKUSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

azane;hexan-1-imine
CID 158895938
hexane-1,6-diimine;hydrochloride
CID 175422205
3,7-diethylnonane
CID 22089120
hexan-1-imine;platinum;dihydrate
CID 175690790
4-methylheptane-1,7-diimine
CID 139852006
hexan-1-imine;tetrabromoosmium
CID 175766218
4-methylsulfanylbutan-1-imine
CID 88877345
3,6-diethyloctane
CID 526424
(E)-6-methyl-4-propyloct-6-en-1-imine
CID 166765062
hex-5-en-1-imine
CID 57150072
5-iminopentan-1-ol
CID 22352756
3-ethylicosane
CID 528487

Frequently Asked Questions

What is the IUPAC name of 5-ethylheptan-1-imine?
The IUPAC name of 5-ethylheptan-1-imine (CID 123407582) is 5-ethylheptan-1-imine.
What is the SMILES notation for 5-ethylheptan-1-imine?
The canonical SMILES for 5-ethylheptan-1-imine is [H]/N=C/CCCC(CC)CC.
What is the InChIKey of 5-ethylheptan-1-imine?
The InChIKey is IMCYXEDFYHBCMY-CSKARUKUSA-N. The full InChI is InChI=1S/C9H19N/c1-3-9(4-2)7-5-6-8-10/h8-10H,3-7H2,1-2H3/b10-8+.
What are the key properties of 5-ethylheptan-1-imine?
5-ethylheptan-1-imine has a molecular weight of 141.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylheptan-1-imine is sourced from PubChem (CID 123407582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).