5-(3-iodopropyl)hexane-1,1,6-triamine

C9H22IN3 — CID 87237998

IUPAC5-(3-iodopropyl)hexane-1,1,6-triamine
SMILESNCC(CCCI)CCCC(N)N
InChIInChI=1S/C9H22IN3/c10-6-2-4-8(7-11)3-1-5-9(12)13/h8-9H,1-7,11-13H2
InChIKeyMFLKBGGRDOLVNL-UHFFFAOYSA-N
MW299.20 g/mol
LogP1.19
Rot. Bonds8

About 5-(3-iodopropyl)hexane-1,1,6-triamine

5-(3-iodopropyl)hexane-1,1,6-triamine (PubChem CID 87237998) has the molecular formula C9H22IN3 and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-(3-iodopropyl)hexane-1,1,6-triamine.

Molecular Properties

Compound Name5-(3-iodopropyl)hexane-1,1,6-triamine
PubChem CID87237998
Molecular FormulaC9H22IN3
Molecular Weight299.20 g/mol
Exact Mass299.09
IUPAC Name5-(3-iodopropyl)hexane-1,1,6-triamine
SMILESNCC(CCCI)CCCC(N)N
InChIInChI=1S/C9H22IN3/c10-6-2-4-8(7-11)3-1-5-9(12)13/h8-9H,1-7,11-13H2
InChIKeyMFLKBGGRDOLVNL-UHFFFAOYSA-N
XLogP1.19
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-6-iodohexanal
CID 163410825
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
CID 139249170
2-butylhexan-1-amine
CID 54041151
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
dodecane-1,1,12,12-tetramine
CID 57282204
(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
2-propylheptan-1-amine
CID 21267775
5-amino-4-(aminomethyl)pentan-1-ol
CID 89213757
2-butylpropane-1,3-diamine;ethane
CID 142824010
(1R)-1,11-diiodoundecan-1-amine
CID 138602869

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodopropyl)hexane-1,1,6-triamine?
The IUPAC name of 5-(3-iodopropyl)hexane-1,1,6-triamine (CID 87237998) is 5-(3-iodopropyl)hexane-1,1,6-triamine.
What is the SMILES notation for 5-(3-iodopropyl)hexane-1,1,6-triamine?
The canonical SMILES for 5-(3-iodopropyl)hexane-1,1,6-triamine is NCC(CCCI)CCCC(N)N.
What is the InChIKey of 5-(3-iodopropyl)hexane-1,1,6-triamine?
The InChIKey is MFLKBGGRDOLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22IN3/c10-6-2-4-8(7-11)3-1-5-9(12)13/h8-9H,1-7,11-13H2.
What are the key properties of 5-(3-iodopropyl)hexane-1,1,6-triamine?
5-(3-iodopropyl)hexane-1,1,6-triamine has a molecular weight of 299.20 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodopropyl)hexane-1,1,6-triamine is sourced from PubChem (CID 87237998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).