1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine

C16H21IN2 — CID 86591648

IUPAC1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(I)cc12
InChIInChI=1S/C16H21IN2/c1-19(2)10-11-4-3-5-13(11)15-9-18-16-7-6-12(17)8-14(15)16/h6-9,11,13,18H,3-5,10H2,1-2H3/t11-,13+/m0/s1
InChIKeyPJLQSSHKFDVULV-WCQYABFASA-N
MW368.26 g/mol
LogP4.22
Rot. Bonds3

About 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine

1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine (PubChem CID 86591648) has the molecular formula C16H21IN2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
PubChem CID86591648
Molecular FormulaC16H21IN2
Molecular Weight368.26 g/mol
Exact Mass368.07
IUPAC Name1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(I)cc12
InChIInChI=1S/C16H21IN2/c1-19(2)10-11-4-3-5-13(11)15-9-18-16-7-6-12(17)8-14(15)16/h6-9,11,13,18H,3-5,10H2,1-2H3/t11-,13+/m0/s1
InChIKeyPJLQSSHKFDVULV-WCQYABFASA-N
XLogP4.22
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine (CID 86591648) is 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1CCC[C@H]1c1c[nH]c2ccc(I)cc12.
What is the InChIKey of 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine?
The InChIKey is PJLQSSHKFDVULV-WCQYABFASA-N. The full InChI is InChI=1S/C16H21IN2/c1-19(2)10-11-4-3-5-13(11)15-9-18-16-7-6-12(17)8-14(15)16/h6-9,11,13,18H,3-5,10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine?
1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine has a molecular weight of 368.26 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(5-iodo-1H-indol-3-yl)cyclopentyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 86591648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).