N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C16H21ClN2 — CID 114544334

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2[nH]c3ccccc3c2Cl)C1
InChIInChI=1S/C16H21ClN2/c1-16(2)8-7-11(9-16)18-10-14-15(17)12-5-3-4-6-13(12)19-14/h3-6,11,18-19H,7-10H2,1-2H3
InChIKeyIFBKEKGQXOWARH-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.49
Rot. Bonds3

About N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114544334) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114544334
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2[nH]c3ccccc3c2Cl)C1
InChIInChI=1S/C16H21ClN2/c1-16(2)8-7-11(9-16)18-10-14-15(17)12-5-3-4-6-13(12)19-14/h3-6,11,18-19H,7-10H2,1-2H3
InChIKeyIFBKEKGQXOWARH-UHFFFAOYSA-N
XLogP4.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114544334) is N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2[nH]c3ccccc3c2Cl)C1.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is IFBKEKGQXOWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-16(2)8-7-11(9-16)18-10-14-15(17)12-5-3-4-6-13(12)19-14/h3-6,11,18-19H,7-10H2,1-2H3.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 276.81 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114544334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).