cyclodecyl(iodo)methanediamine

C11H23IN2 — CID 156528266

IUPACcyclodecyl(iodo)methanediamine
SMILESNC(N)(I)C1CCCCCCCCC1
InChIInChI=1S/C11H23IN2/c12-11(13,14)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9,13-14H2
InChIKeyOKINGLYTAUHFFT-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.13
Rot. Bonds1

About cyclodecyl(iodo)methanediamine

cyclodecyl(iodo)methanediamine (PubChem CID 156528266) has the molecular formula C11H23IN2 and a molecular weight of 310.22 g/mol. Its IUPAC name is cyclodecyl(iodo)methanediamine.

Molecular Properties

Compound Namecyclodecyl(iodo)methanediamine
PubChem CID156528266
Molecular FormulaC11H23IN2
Molecular Weight310.22 g/mol
Exact Mass310.09
IUPAC Namecyclodecyl(iodo)methanediamine
SMILESNC(N)(I)C1CCCCCCCCC1
InChIInChI=1S/C11H23IN2/c12-11(13,14)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9,13-14H2
InChIKeyOKINGLYTAUHFFT-UHFFFAOYSA-N
XLogP3.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tricyclohexylmethylsilane
CID 71348621
copper;1,1-di(cyclooctyl)ethane-1,2-diamine
CID 118577975
1,1-dicyclohexylpropane-1,3-diamine
CID 57076927
cyclohexyl-(4-methylcyclohexyl)methanediamine
CID 19842581
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
2,2,2-tricyclohexylethanamine
CID 57066061
tert-butylcyclopentadecane
CID 164774831
(2R)-2-cyclohexylbut-3-yn-2-amine
CID 143939589
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
CID 100913906
CID 100913906
2-cyclohexylpropan-2-ol;methanamine
CID 155735582
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368

Frequently Asked Questions

What is the IUPAC name of cyclodecyl(iodo)methanediamine?
The IUPAC name of cyclodecyl(iodo)methanediamine (CID 156528266) is cyclodecyl(iodo)methanediamine.
What is the SMILES notation for cyclodecyl(iodo)methanediamine?
The canonical SMILES for cyclodecyl(iodo)methanediamine is NC(N)(I)C1CCCCCCCCC1.
What is the InChIKey of cyclodecyl(iodo)methanediamine?
The InChIKey is OKINGLYTAUHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IN2/c12-11(13,14)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9,13-14H2.
What are the key properties of cyclodecyl(iodo)methanediamine?
cyclodecyl(iodo)methanediamine has a molecular weight of 310.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl(iodo)methanediamine is sourced from PubChem (CID 156528266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).