N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C19H27N3O — CID 18447506

IUPACN-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1c(OC2CCCC(NC3CCCC3)C2)ccc2[nH]ncc12
InChIInChI=1S/C19H27N3O/c1-13-17-12-20-22-18(17)9-10-19(13)23-16-8-4-7-15(11-16)21-14-5-2-3-6-14/h9-10,12,14-16,21H,2-8,11H2,1H3,(H,20,22)
InChIKeyNNDXBVXLPCQHHA-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.09
Rot. Bonds4

About N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447506) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447506
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1c(OC2CCCC(NC3CCCC3)C2)ccc2[nH]ncc12
InChIInChI=1S/C19H27N3O/c1-13-17-12-20-22-18(17)9-10-19(13)23-16-8-4-7-15(11-16)21-14-5-2-3-6-14/h9-10,12,14-16,21H,2-8,11H2,1H3,(H,20,22)
InChIKeyNNDXBVXLPCQHHA-UHFFFAOYSA-N
XLogP4.09
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447506) is N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is Cc1c(OC2CCCC(NC3CCCC3)C2)ccc2[nH]ncc12.
What is the InChIKey of N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is NNDXBVXLPCQHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13-17-12-20-22-18(17)9-10-19(13)23-16-8-4-7-15(11-16)21-14-5-2-3-6-14/h9-10,12,14-16,21H,2-8,11H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).