N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine

C32H46N6 — CID 159241089

IUPACN,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine
SMILESCN(C)c1ccc2c(cnn2C)c1.Cn1ncc2cc(N(CC3CCCCC3)CC3CCCCC3)ccc21
InChIInChI=1S/C22H33N3.C10H13N3/c1-24-22-13-12-21(14-20(22)15-23-24)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19;1-12(2)9-4-5-10-8(6-9)7-11-13(10)3/h12-15,18-19H,2-11,16-17H2,1H3;4-7H,1-3H3
InChIKeyKUCKYTLLSKTSLH-UHFFFAOYSA-N
MW514.76 g/mol
LogP7.18
Rot. Bonds6

About N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine

N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine (PubChem CID 159241089) has the molecular formula C32H46N6 and a molecular weight of 514.76 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine
PubChem CID159241089
Molecular FormulaC32H46N6
Molecular Weight514.76 g/mol
Exact Mass514.38
IUPAC NameN,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine
SMILESCN(C)c1ccc2c(cnn2C)c1.Cn1ncc2cc(N(CC3CCCCC3)CC3CCCCC3)ccc21
InChIInChI=1S/C22H33N3.C10H13N3/c1-24-22-13-12-21(14-20(22)15-23-24)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19;1-12(2)9-4-5-10-8(6-9)7-11-13(10)3/h12-15,18-19H,2-11,16-17H2,1H3;4-7H,1-3H3
InChIKeyKUCKYTLLSKTSLH-UHFFFAOYSA-N
XLogP7.18
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine?
The IUPAC name of N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine (CID 159241089) is N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine is CN(C)c1ccc2c(cnn2C)c1.Cn1ncc2cc(N(CC3CCCCC3)CC3CCCCC3)ccc21.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine?
The InChIKey is KUCKYTLLSKTSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3.C10H13N3/c1-24-22-13-12-21(14-20(22)15-23-24)25(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19;1-12(2)9-4-5-10-8(6-9)7-11-13(10)3/h12-15,18-19H,2-11,16-17H2,1H3;4-7H,1-3H3.
What are the key properties of N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine?
N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine has a molecular weight of 514.76 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-1-methylindazol-5-amine;N,N,1-trimethylindazol-5-amine is sourced from PubChem (CID 159241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).