N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine

C17H25N3 — CID 50976005

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(C)NCc1nn(C)c2ccc(C)cc12
InChIInChI=1S/C17H25N3/c1-12(2)6-8-14(4)18-11-16-15-10-13(3)7-9-17(15)20(5)19-16/h7,9-10,14,18H,1,6,8,11H2,2-5H3
InChIKeyQYDIBGWUFSYGJI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds6

About N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine

N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine (PubChem CID 50976005) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine
PubChem CID50976005
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(C)NCc1nn(C)c2ccc(C)cc12
InChIInChI=1S/C17H25N3/c1-12(2)6-8-14(4)18-11-16-15-10-13(3)7-9-17(15)20(5)19-16/h7,9-10,14,18H,1,6,8,11H2,2-5H3
InChIKeyQYDIBGWUFSYGJI-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine (CID 50976005) is N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine is C=C(C)CCC(C)NCc1nn(C)c2ccc(C)cc12.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine?
The InChIKey is QYDIBGWUFSYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)6-8-14(4)18-11-16-15-10-13(3)7-9-17(15)20(5)19-16/h7,9-10,14,18H,1,6,8,11H2,2-5H3.
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine?
N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-5-methylhex-5-en-2-amine is sourced from PubChem (CID 50976005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).