1-(aminomethyl)-2,2-diiodocyclopentan-1-amine

C6H12I2N2 — CID 88689644

IUPAC1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
SMILESNCC1(N)CCCC1(I)I
InChIInChI=1S/C6H12I2N2/c7-6(8)3-1-2-5(6,10)4-9/h1-4,9-10H2
InChIKeyZQGNPBFWLHYPLS-UHFFFAOYSA-N
MW365.98 g/mol
LogP1.39
Rot. Bonds1

About 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine

1-(aminomethyl)-2,2-diiodocyclopentan-1-amine (PubChem CID 88689644) has the molecular formula C6H12I2N2 and a molecular weight of 365.98 g/mol. Its IUPAC name is 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
PubChem CID88689644
Molecular FormulaC6H12I2N2
Molecular Weight365.98 g/mol
Exact Mass365.91
IUPAC Name1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
SMILESNCC1(N)CCCC1(I)I
InChIInChI=1S/C6H12I2N2/c7-6(8)3-1-2-5(6,10)4-9/h1-4,9-10H2
InChIKeyZQGNPBFWLHYPLS-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
CID 19897960
2,2-diiodocyclohexane-1,1-diamine
CID 174265228
(7-aminospiro[2.4]heptan-7-yl)methanol
CID 83904915
2-aminospiro[3.3]heptane-2-carbonitrile
CID 131553755
2-[[2-amino-1-ethyl-2-(iodomethyl)cyclohexyl]methyl]-2-ethyl-1-(iodomethyl)cyclohexan-1-amine
CID 68739117
1-iodocyclotridecan-1-amine
CID 134396656
2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
2-[1,3-diamino-2,2,3-tris(carboxymethyl)cyclohexyl]acetic acid
CID 19076854
(1-methoxycyclobutyl)methanamine
CID 66072375
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
7-(aminomethyl)spiro[2.4]heptan-7-ol
CID 83904912
1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine
CID 141420285

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine (CID 88689644) is 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine is NCC1(N)CCCC1(I)I.
What is the InChIKey of 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine?
The InChIKey is ZQGNPBFWLHYPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2N2/c7-6(8)3-1-2-5(6,10)4-9/h1-4,9-10H2.
What are the key properties of 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine?
1-(aminomethyl)-2,2-diiodocyclopentan-1-amine has a molecular weight of 365.98 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,2-diiodocyclopentan-1-amine is sourced from PubChem (CID 88689644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).