5-iodo-N-pentan-3-ylhexan-2-imine

C11H22IN — CID 158297281

IUPAC5-iodo-N-pentan-3-ylhexan-2-imine
SMILESCCC(CC)/N=C(\C)CCC(C)I
InChIInChI=1S/C11H22IN/c1-5-11(6-2)13-10(4)8-7-9(3)12/h9,11H,5-8H2,1-4H3/b13-10+
InChIKeyGMBKUCBLCDLXNA-JLHYYAGUSA-N
MW295.21 g/mol
LogP4.24
Rot. Bonds6

About 5-iodo-N-pentan-3-ylhexan-2-imine

5-iodo-N-pentan-3-ylhexan-2-imine (PubChem CID 158297281) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-iodo-N-pentan-3-ylhexan-2-imine.

Molecular Properties

Compound Name5-iodo-N-pentan-3-ylhexan-2-imine
PubChem CID158297281
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC Name5-iodo-N-pentan-3-ylhexan-2-imine
SMILESCCC(CC)/N=C(\C)CCC(C)I
InChIInChI=1S/C11H22IN/c1-5-11(6-2)13-10(4)8-7-9(3)12/h9,11H,5-8H2,1-4H3/b13-10+
InChIKeyGMBKUCBLCDLXNA-JLHYYAGUSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylheptan-2-ylidene)hydroxylamine
CID 139940320
butan-2-yl 4-iodopentanoate
CID 146451457
N-[(3R)-5-methylhex-5-en-3-yl]butan-2-imine
CID 163484239
1-(hexan-2-ylideneamino)ethanamine
CID 123584737
2,10-diiodoundecan-6-one
CID 87448704
N-butan-2-ylpropan-2-imine
CID 118347004
N-propan-2-ylbutan-2-imine
CID 535666
(3R)-1,3-diiodobutane
CID 76764224
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025
5-iodohexan-1-ol
CID 18921038
(5S)-5-iodohexan-1-ol
CID 139766894
2-iodo-5,9-dimethylundecan-5-ol
CID 134171381

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-pentan-3-ylhexan-2-imine?
The IUPAC name of 5-iodo-N-pentan-3-ylhexan-2-imine (CID 158297281) is 5-iodo-N-pentan-3-ylhexan-2-imine.
What is the SMILES notation for 5-iodo-N-pentan-3-ylhexan-2-imine?
The canonical SMILES for 5-iodo-N-pentan-3-ylhexan-2-imine is CCC(CC)/N=C(\C)CCC(C)I.
What is the InChIKey of 5-iodo-N-pentan-3-ylhexan-2-imine?
The InChIKey is GMBKUCBLCDLXNA-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H22IN/c1-5-11(6-2)13-10(4)8-7-9(3)12/h9,11H,5-8H2,1-4H3/b13-10+.
What are the key properties of 5-iodo-N-pentan-3-ylhexan-2-imine?
5-iodo-N-pentan-3-ylhexan-2-imine has a molecular weight of 295.21 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-pentan-3-ylhexan-2-imine is sourced from PubChem (CID 158297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).