N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine

C16H24N4 — CID 102875128

IUPACN'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCn1nc(CN(CCN)C2CCC2)c2ccccc21
InChIInChI=1S/C16H24N4/c1-2-20-16-9-4-3-8-14(16)15(18-20)12-19(11-10-17)13-6-5-7-13/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyHZFSEEVRIXRRDT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.37
Rot. Bonds6

About N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine

N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 102875128) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID102875128
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCn1nc(CN(CCN)C2CCC2)c2ccccc21
InChIInChI=1S/C16H24N4/c1-2-20-16-9-4-3-8-14(16)15(18-20)12-19(11-10-17)13-6-5-7-13/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3
InChIKeyHZFSEEVRIXRRDT-UHFFFAOYSA-N
XLogP2.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine (CID 102875128) is N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine is CCn1nc(CN(CCN)C2CCC2)c2ccccc21.
What is the InChIKey of N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is HZFSEEVRIXRRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-20-16-9-4-3-8-14(16)15(18-20)12-19(11-10-17)13-6-5-7-13/h3-4,8-9,13H,2,5-7,10-12,17H2,1H3.
What are the key properties of N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102875128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).