N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C16H21ClN2 — CID 114544239

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2c[nH]c3cc(Cl)ccc23)C1
InChIInChI=1S/C16H21ClN2/c1-16(2)6-5-13(8-16)18-9-11-10-19-15-7-12(17)3-4-14(11)15/h3-4,7,10,13,18-19H,5-6,8-9H2,1-2H3
InChIKeyLOPLFKIJBORKPL-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.49
Rot. Bonds3

About N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 114544239) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID114544239
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2c[nH]c3cc(Cl)ccc23)C1
InChIInChI=1S/C16H21ClN2/c1-16(2)6-5-13(8-16)18-9-11-10-19-15-7-12(17)3-4-14(11)15/h3-4,7,10,13,18-19H,5-6,8-9H2,1-2H3
InChIKeyLOPLFKIJBORKPL-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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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
N-(1H-indol-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965535
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
CID 106359414
N-(1H-indol-3-ylmethyl)-2,2-dimethylpiperidin-4-amine
CID 115145493
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100191
tert-butyl 3-[(6-chloro-1H-indol-3-yl)methylamino]azetidine-1-carboxylate
CID 107241823
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
4-bromo-2-[[(3,3-dimethylcyclopentyl)amino]methyl]phenol
CID 113345596
N-[(3-chloro-1H-indol-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544334

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 114544239) is N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2c[nH]c3cc(Cl)ccc23)C1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is LOPLFKIJBORKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-16(2)6-5-13(8-16)18-9-11-10-19-15-7-12(17)3-4-14(11)15/h3-4,7,10,13,18-19H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(6-chloro-1H-indol-3-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-[(6-chloro-1H-indol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114544239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).