N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine

C18H29N3 — CID 103126554

IUPACN-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1nn(C)c2ccccc12
InChIInChI=1S/C18H29N3/c1-4-6-7-8-9-13-16(19-5-2)18-15-12-10-11-14-17(15)21(3)20-18/h10-12,14,16,19H,4-9,13H2,1-3H3
InChIKeyKBGXNVRFWOCBJK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.58
Rot. Bonds9

About N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine

N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine (PubChem CID 103126554) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
PubChem CID103126554
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1nn(C)c2ccccc12
InChIInChI=1S/C18H29N3/c1-4-6-7-8-9-13-16(19-5-2)18-15-12-10-11-14-17(15)21(3)20-18/h10-12,14,16,19H,4-9,13H2,1-3H3
InChIKeyKBGXNVRFWOCBJK-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103128049
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
CID 103127777
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine (CID 103126554) is N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine is CCCCCCCC(NCC)c1nn(C)c2ccccc12.
What is the InChIKey of N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine?
The InChIKey is KBGXNVRFWOCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-6-7-8-9-13-16(19-5-2)18-15-12-10-11-14-17(15)21(3)20-18/h10-12,14,16,19H,4-9,13H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine?
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine is sourced from PubChem (CID 103126554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).