N-iodo-1-(1-methylcyclopentyl)methanamine

C7H14IN — CID 156748998

IUPACN-iodo-1-(1-methylcyclopentyl)methanamine
SMILESCC1(CNI)CCCC1
InChIInChI=1S/C7H14IN/c1-7(6-9-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyBTMXBFQXCSMSDK-UHFFFAOYSA-N
MW239.10 g/mol
LogP2.51
Rot. Bonds2

About N-iodo-1-(1-methylcyclopentyl)methanamine

N-iodo-1-(1-methylcyclopentyl)methanamine (PubChem CID 156748998) has the molecular formula C7H14IN and a molecular weight of 239.10 g/mol. Its IUPAC name is N-iodo-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-iodo-1-(1-methylcyclopentyl)methanamine
PubChem CID156748998
Molecular FormulaC7H14IN
Molecular Weight239.10 g/mol
Exact Mass239.02
IUPAC NameN-iodo-1-(1-methylcyclopentyl)methanamine
SMILESCC1(CNI)CCCC1
InChIInChI=1S/C7H14IN/c1-7(6-9-8)4-2-3-5-7/h9H,2-6H2,1H3
InChIKeyBTMXBFQXCSMSDK-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of N-iodo-1-(1-methylcyclopentyl)methanamine (CID 156748998) is N-iodo-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for N-iodo-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for N-iodo-1-(1-methylcyclopentyl)methanamine is CC1(CNI)CCCC1.
What is the InChIKey of N-iodo-1-(1-methylcyclopentyl)methanamine?
The InChIKey is BTMXBFQXCSMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN/c1-7(6-9-8)4-2-3-5-7/h9H,2-6H2,1H3.
What are the key properties of N-iodo-1-(1-methylcyclopentyl)methanamine?
N-iodo-1-(1-methylcyclopentyl)methanamine has a molecular weight of 239.10 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 156748998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).