3-(aminomethyl)-6-iodohexanal

C7H14INO — CID 163410825

IUPAC3-(aminomethyl)-6-iodohexanal
SMILESNCC(CC=O)CCCI
InChIInChI=1S/C7H14INO/c8-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6,9H2
InChIKeyAAIKSKFTXCHPNL-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.37
Rot. Bonds6

About 3-(aminomethyl)-6-iodohexanal

3-(aminomethyl)-6-iodohexanal (PubChem CID 163410825) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-(aminomethyl)-6-iodohexanal.

Molecular Properties

Compound Name3-(aminomethyl)-6-iodohexanal
PubChem CID163410825
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name3-(aminomethyl)-6-iodohexanal
SMILESNCC(CC=O)CCCI
InChIInChI=1S/C7H14INO/c8-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6,9H2
InChIKeyAAIKSKFTXCHPNL-UHFFFAOYSA-N
XLogP1.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-iodopropyl)hexane-1,1,6-triamine
CID 87237998
3-nonyldodecanal
CID 142613821
3-propylheptanal
CID 12639871
2-prop-2-enylhexane-1,6-diamine
CID 89126683
3-propylnonanal
CID 54180960
2-butylhex-4-en-1-amine
CID 91034003
3-ethylhexanal
CID 15829179
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
5-amino-4-(aminomethyl)pentan-1-ol
CID 89213757
2-butylhexan-1-amine
CID 54041151
3,4-bis(2-aminoethylamino)hexanedial
CID 21019160
4-(aminomethyl)-2-hydroxy-8-methylnonanal
CID 126625118

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-iodohexanal?
The IUPAC name of 3-(aminomethyl)-6-iodohexanal (CID 163410825) is 3-(aminomethyl)-6-iodohexanal.
What is the SMILES notation for 3-(aminomethyl)-6-iodohexanal?
The canonical SMILES for 3-(aminomethyl)-6-iodohexanal is NCC(CC=O)CCCI.
What is the InChIKey of 3-(aminomethyl)-6-iodohexanal?
The InChIKey is AAIKSKFTXCHPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c8-4-1-2-7(6-9)3-5-10/h5,7H,1-4,6,9H2.
What are the key properties of 3-(aminomethyl)-6-iodohexanal?
3-(aminomethyl)-6-iodohexanal has a molecular weight of 255.10 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-iodohexanal is sourced from PubChem (CID 163410825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).