N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine

C17H24BrN3 — CID 80675619

IUPACN-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine
SMILESCCn1nc(CN(CCBr)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H24BrN3/c1-2-21-17-10-6-5-9-15(17)16(19-21)13-20(12-11-18)14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyJNMSEYRMKWEWSU-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.20
Rot. Bonds6

About N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine

N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine (PubChem CID 80675619) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine
PubChem CID80675619
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine
SMILESCCn1nc(CN(CCBr)C2CCCC2)c2ccccc21
InChIInChI=1S/C17H24BrN3/c1-2-21-17-10-6-5-9-15(17)16(19-21)13-20(12-11-18)14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3
InChIKeyJNMSEYRMKWEWSU-UHFFFAOYSA-N
XLogP4.20
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclobutyl-N'-[(1-ethylindazol-3-yl)methyl]ethane-1,2-diamine
CID 102875128
N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488209
4-[(1-ethylindazol-3-yl)methyl-methylamino]cyclohexan-1-one
CID 79118847
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
N-[[2-[(1-ethylindazol-3-yl)methyl]cyclopentyl]methyl]ethanamine
CID 81026806
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
CID 80674380

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine (CID 80675619) is N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine is CCn1nc(CN(CCBr)C2CCCC2)c2ccccc21.
What is the InChIKey of N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine?
The InChIKey is JNMSEYRMKWEWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-2-21-17-10-6-5-9-15(17)16(19-21)13-20(12-11-18)14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine?
N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine has a molecular weight of 350.30 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(1-ethylindazol-3-yl)methyl]cyclopentanamine is sourced from PubChem (CID 80675619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).