N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C14H23N3 — CID 91030963

IUPACN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESC1CCC(CNc2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C14H23N3/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h11H,1-10H2,(H2,15,16,17)
InChIKeySHFCOTQJQZOARM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.28
Rot. Bonds3

About N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 91030963) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID91030963
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESC1CCC(CNc2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C14H23N3/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h11H,1-10H2,(H2,15,16,17)
InChIKeySHFCOTQJQZOARM-UHFFFAOYSA-N
XLogP3.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 91030963) is N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is C1CCC(CNc2n[nH]c3c2CCCC3)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is SHFCOTQJQZOARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-6-11(7-3-1)10-15-14-12-8-4-5-9-13(12)16-17-14/h11H,1-10H2,(H2,15,16,17).
What are the key properties of N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 91030963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).