1-iododecane-1,10-diamine

C10H23IN2 — CID 175279846

IUPAC1-iododecane-1,10-diamine
SMILESNCCCCCCCCCC(N)I
InChIInChI=1S/C10H23IN2/c11-10(13)8-6-4-2-1-3-5-7-9-12/h10H,1-9,12-13H2
InChIKeyZFLCHEXYEHYQOY-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.79
Rot. Bonds9

About 1-iododecane-1,10-diamine

1-iododecane-1,10-diamine (PubChem CID 175279846) has the molecular formula C10H23IN2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-iododecane-1,10-diamine.

Molecular Properties

Compound Name1-iododecane-1,10-diamine
PubChem CID175279846
Molecular FormulaC10H23IN2
Molecular Weight298.21 g/mol
Exact Mass298.09
IUPAC Name1-iododecane-1,10-diamine
SMILESNCCCCCCCCCC(N)I
InChIInChI=1S/C10H23IN2/c11-10(13)8-6-4-2-1-3-5-7-9-12/h10H,1-9,12-13H2
InChIKeyZFLCHEXYEHYQOY-UHFFFAOYSA-N
XLogP2.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-1,13,25-triamine
CID 174653759
(1R)-1,11-diiodoundecan-1-amine
CID 138602869
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octane-1,4,8-triamine
CID 18544198
octadecane-1,6,7,18-tetramine
CID 56630973
1-iodoundecan-1-amine
CID 19076849
1-bromohexane-1,6-diamine
CID 174353675
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
1,6-diaminohexan-1-ol
CID 57008257
undecane-1,10-diamine
CID 140782210
1-bromododecane-1,12-diamine
CID 175488635

Frequently Asked Questions

What is the IUPAC name of 1-iododecane-1,10-diamine?
The IUPAC name of 1-iododecane-1,10-diamine (CID 175279846) is 1-iododecane-1,10-diamine.
What is the SMILES notation for 1-iododecane-1,10-diamine?
The canonical SMILES for 1-iododecane-1,10-diamine is NCCCCCCCCCC(N)I.
What is the InChIKey of 1-iododecane-1,10-diamine?
The InChIKey is ZFLCHEXYEHYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23IN2/c11-10(13)8-6-4-2-1-3-5-7-9-12/h10H,1-9,12-13H2.
What are the key properties of 1-iododecane-1,10-diamine?
1-iododecane-1,10-diamine has a molecular weight of 298.21 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iododecane-1,10-diamine is sourced from PubChem (CID 175279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).