N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine

C14H23N3 — CID 70841009

IUPACN-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine
SMILESCCCN(CC(C)C)C1=CC2C=NNC2C=C1
InChIInChI=1S/C14H23N3/c1-4-7-17(10-11(2)3)13-5-6-14-12(8-13)9-15-16-14/h5-6,8-9,11-12,14,16H,4,7,10H2,1-3H3
InChIKeyRTNZQQVHIJJSPP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.38
Rot. Bonds5

About N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine

N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine (PubChem CID 70841009) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine
PubChem CID70841009
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine
SMILESCCCN(CC(C)C)C1=CC2C=NNC2C=C1
InChIInChI=1S/C14H23N3/c1-4-7-17(10-11(2)3)13-5-6-14-12(8-13)9-15-16-14/h5-6,8-9,11-12,14,16H,4,7,10H2,1-3H3
InChIKeyRTNZQQVHIJJSPP-UHFFFAOYSA-N
XLogP2.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine (CID 70841009) is N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine is CCCN(CC(C)C)C1=CC2C=NNC2C=C1.
What is the InChIKey of N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine?
The InChIKey is RTNZQQVHIJJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-7-17(10-11(2)3)13-5-6-14-12(8-13)9-15-16-14/h5-6,8-9,11-12,14,16H,4,7,10H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine?
N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine has a molecular weight of 233.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propyl-3a,7a-dihydro-1H-indazol-5-amine is sourced from PubChem (CID 70841009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).