4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine

C18H29N3 — CID 105001229

IUPAC4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1nn(C)c2ccccc12)CC(C)CC
InChIInChI=1S/C18H29N3/c1-5-11-19-15(12-14(3)6-2)13-17-16-9-7-8-10-18(16)21(4)20-17/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyPBUFJXXDBUDOIU-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.92
Rot. Bonds8

About 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine

4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine (PubChem CID 105001229) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
PubChem CID105001229
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1nn(C)c2ccccc12)CC(C)CC
InChIInChI=1S/C18H29N3/c1-5-11-19-15(12-14(3)6-2)13-17-16-9-7-8-10-18(16)21(4)20-17/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyPBUFJXXDBUDOIU-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methyl-N-propylhexan-2-amine
CID 104994586
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79095493
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
CID 103127777
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
CID 103546905
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
CID 81018955

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine?
The IUPAC name of 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine (CID 105001229) is 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine?
The canonical SMILES for 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine is CCCNC(Cc1nn(C)c2ccccc12)CC(C)CC.
What is the InChIKey of 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine?
The InChIKey is PBUFJXXDBUDOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-11-19-15(12-14(3)6-2)13-17-16-9-7-8-10-18(16)21(4)20-17/h7-10,14-15,19H,5-6,11-13H2,1-4H3.
What are the key properties of 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine?
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 105001229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).