N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine

C16H23N3 — CID 81018955

IUPACN-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-12(9-10-17-13-7-8-13)11-15-14-5-3-4-6-16(14)19(2)18-15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyDSDMSFLXPKBVOW-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.89
Rot. Bonds6

About N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine

N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine (PubChem CID 81018955) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
PubChem CID81018955
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3/c1-12(9-10-17-13-7-8-13)11-15-14-5-3-4-6-16(14)19(2)18-15/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyDSDMSFLXPKBVOW-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 63378842
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
CID 113256963
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 115336622
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
N-[(1-methylindazol-3-yl)methyl]oxolan-3-amine
CID 80713493
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
CID 81012209
2-(1,1-dioxothiolan-3-yl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 66025406

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine (CID 81018955) is N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine is CC(CCNC1CC1)Cc1nn(C)c2ccccc12.
What is the InChIKey of N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine?
The InChIKey is DSDMSFLXPKBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(9-10-17-13-7-8-13)11-15-14-5-3-4-6-16(14)19(2)18-15/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine?
N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine has a molecular weight of 257.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81018955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).